N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide

C22H38N4O3 — CID 45247849

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide
SMILESCN1CCC(N(C)C(=O)CCC2CCCN(C(=O)CN3CCCCC3=O)C2)CC1
InChIInChI=1S/C22H38N4O3/c1-23-14-10-19(11-15-23)24(2)20(27)9-8-18-6-5-13-25(16-18)22(29)17-26-12-4-3-7-21(26)28/h18-19H,3-17H2,1-2H3
InChIKeyDRYMYFLRBMIFDA-UHFFFAOYSA-N
MW406.57 g/mol
LogP1.57
Rot. Bonds6

About N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide

N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide (PubChem CID 45247849) has the molecular formula C22H38N4O3 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide
PubChem CID45247849
Molecular FormulaC22H38N4O3
Molecular Weight406.57 g/mol
Exact Mass406.29
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide
SMILESCN1CCC(N(C)C(=O)CCC2CCCN(C(=O)CN3CCCCC3=O)C2)CC1
InChIInChI=1S/C22H38N4O3/c1-23-14-10-19(11-15-23)24(2)20(27)9-8-18-6-5-13-25(16-18)22(29)17-26-12-4-3-7-21(26)28/h18-19H,3-17H2,1-2H3
InChIKeyDRYMYFLRBMIFDA-UHFFFAOYSA-N
XLogP1.57
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide with MolForge

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45168903
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide
CID 42378388
N-cyclohexyl-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 51075621
3-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45238368
1-[2-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 26327850
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806
1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 42216671
3-[(3R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 97283182
N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide
CID 45243662
1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 25477580
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanamide
CID 26326645
3-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45192669

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide (CID 45247849) is N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide is CN1CCC(N(C)C(=O)CCC2CCCN(C(=O)CN3CCCCC3=O)C2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide?
The InChIKey is DRYMYFLRBMIFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O3/c1-23-14-10-19(11-15-23)24(2)20(27)9-8-18-6-5-13-25(16-18)22(29)17-26-12-4-3-7-21(26)28/h18-19H,3-17H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide?
N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide has a molecular weight of 406.57 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45247849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).