2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide

C27H48N4O3 — CID 138685410

IUPAC2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C)C(=O)CC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC3CC3)C2=O)CC1
InChIInChI=1S/C27H48N4O3/c1-19(2)8-12-29(5)25(32)18-22-9-13-30(14-10-22)27(34)24(16-20(3)4)31-15-11-28-23(26(31)33)17-21-6-7-21/h19-24,28H,6-18H2,1-5H3/t23-,24-/m0/s1
InChIKeyPIXQOMKSRJYYNT-ZEQRLZLVSA-N
MW476.71 g/mol
LogP3.13
Rot. Bonds11

About 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide

2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide (PubChem CID 138685410) has the molecular formula C27H48N4O3 and a molecular weight of 476.71 g/mol. Its IUPAC name is 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide
PubChem CID138685410
Molecular FormulaC27H48N4O3
Molecular Weight476.71 g/mol
Exact Mass476.37
IUPAC Name2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C)C(=O)CC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC3CC3)C2=O)CC1
InChIInChI=1S/C27H48N4O3/c1-19(2)8-12-29(5)25(32)18-22-9-13-30(14-10-22)27(34)24(16-20(3)4)31-15-11-28-23(26(31)33)17-21-6-7-21/h19-24,28H,6-18H2,1-5H3/t23-,24-/m0/s1
InChIKeyPIXQOMKSRJYYNT-ZEQRLZLVSA-N
XLogP3.13
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide 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

N-methyl-N-(3-methylbutyl)-2-[1-[(2S)-3-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]butanoyl]piperidin-4-yl]acetamide
CID 138685784
N-methyl-N-(3-methylbutyl)-2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]propanamide
CID 138685889
N-ethyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]-N-(2-methylpropyl)acetamide
CID 155164424
2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685720
(3S)-1-[4-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685832
N-cyclohexyl-N-ethyl-2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685349
2-[1-[4-methyl-2-[(3S)-2-oxo-3-propylpiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
CID 138685539
propan-2-yl 2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetate
CID 138749176
(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-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4,4-dimethylpentanoyl]piperidin-4-yl]acetamide
CID 138685324
2-[1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetonitrile
CID 138685836
2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetonitrile
CID 138685835

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide (CID 138685410) is 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide is CC(C)CCN(C)C(=O)CC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC3CC3)C2=O)CC1.
What is the InChIKey of 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide?
The InChIKey is PIXQOMKSRJYYNT-ZEQRLZLVSA-N. The full InChI is InChI=1S/C27H48N4O3/c1-19(2)8-12-29(5)25(32)18-22-9-13-30(14-10-22)27(34)24(16-20(3)4)31-15-11-28-23(26(31)33)17-21-6-7-21/h19-24,28H,6-18H2,1-5H3/t23-,24-/m0/s1.
What are the key properties of 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide?
2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide has a molecular weight of 476.71 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-[(3S)-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-4-methylpentanoyl]piperidin-4-yl]-N-methyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 138685410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).