(2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide

C28H51N5O3 — CID 138685996

IUPAC(2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
SMILESCC(C)CC(C(=O)N1CCC(CCN2CCCC2)CC1)N1CCN(C(=O)N(C)C)[C@@H](CC(C)C)C1=O
InChIInChI=1S/C28H51N5O3/c1-21(2)19-24(26(34)31-15-10-23(11-16-31)9-14-30-12-7-8-13-30)32-17-18-33(28(36)29(5)6)25(27(32)35)20-22(3)4/h21-25H,7-20H2,1-6H3/t24?,25-/m0/s1
InChIKeyFCWQMLPQGBZPEB-BBMPLOMVSA-N
MW505.75 g/mol
LogP3.37
Rot. Bonds9

About (2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide

(2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide (PubChem CID 138685996) has the molecular formula C28H51N5O3 and a molecular weight of 505.75 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
PubChem CID138685996
Molecular FormulaC28H51N5O3
Molecular Weight505.75 g/mol
Exact Mass505.40
IUPAC Name(2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
SMILESCC(C)CC(C(=O)N1CCC(CCN2CCCC2)CC1)N1CCN(C(=O)N(C)C)[C@@H](CC(C)C)C1=O
InChIInChI=1S/C28H51N5O3/c1-21(2)19-24(26(34)31-15-10-23(11-16-31)9-14-30-12-7-8-13-30)32-17-18-33(28(36)29(5)6)25(27(32)35)20-22(3)4/h21-25H,7-20H2,1-6H3/t24?,25-/m0/s1
InChIKeyFCWQMLPQGBZPEB-BBMPLOMVSA-N
XLogP3.37
TPSA67.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.75
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-[(2S)-4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carbaldehyde
CID 174230348
(3S)-4-methyl-1-[4-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685679
(3S)-1-[4-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685832
N-[2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]ethyl]acetamide
CID 138685565
2-[1-[(2S)-4,5-dimethyl-6-[1-methyl-4-[(2S)-4-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-oxopiperazin-2-yl]-2-[4-methyl-3-(2-methylpropyl)-2-oxopiperazin-1-yl]hexanoyl]piperidin-4-yl]acetamide
CID 172611741
(3S)-1-[4-methyl-1-oxo-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685320
2-[3-[[1-[(2S)-2-[(3S)-4-acetyl-3-(2-methylpropyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]methoxy]phenyl]acetic acid
CID 138685988
(3S)-1-[(2S)-1-[3-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one
CID 138685660
(3S)-1-[(2S)-1-[3-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one
CID 167156806
(3S)-1-[(2S)-1-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-(6-azaspiro[2.5]octan-6-ylmethyl)-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(2'S)-5-(dimethylamino)-2'-methylspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,4'-piperidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[(10S)-3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-10-methyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-4-methyl-1-[(2S)-4-methyl-1-[(10S)-10-methyl-3-(pyrrolidin-1-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[(10S)-10-methyl-3-(piperidin-1-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 165029846
2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetonitrile
CID 138685835
2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetonitrile
CID 138685836

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide (CID 138685996) is (2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide is CC(C)CC(C(=O)N1CCC(CCN2CCCC2)CC1)N1CCN(C(=O)N(C)C)[C@@H](CC(C)C)C1=O.
What is the InChIKey of (2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is FCWQMLPQGBZPEB-BBMPLOMVSA-N. The full InChI is InChI=1S/C28H51N5O3/c1-21(2)19-24(26(34)31-15-10-23(11-16-31)9-14-30-12-7-8-13-30)32-17-18-33(28(36)29(5)6)25(27(32)35)20-22(3)4/h21-25H,7-20H2,1-6H3/t24?,25-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide?
(2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 505.75 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-4-[4-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 138685996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).