(3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide

C20H38N4O2 — CID 164636833

IUPAC(3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@H](N(CCCN2CCCC2)C(=O)C(C)C)C1
InChIInChI=1S/C20H38N4O2/c1-4-10-21-20(26)23-14-7-9-18(16-23)24(19(25)17(2)3)15-8-13-22-11-5-6-12-22/h17-18H,4-16H2,1-3H3,(H,21,26)/t18-/m0/s1
InChIKeyYPVWWSSGSCNXNE-SFHVURJKSA-N
MW366.55 g/mol
LogP2.54
Rot. Bonds8

About (3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide

(3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide (PubChem CID 164636833) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is (3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide
PubChem CID164636833
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name(3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@H](N(CCCN2CCCC2)C(=O)C(C)C)C1
InChIInChI=1S/C20H38N4O2/c1-4-10-21-20(26)23-14-7-9-18(16-23)24(19(25)17(2)3)15-8-13-22-11-5-6-12-22/h17-18H,4-16H2,1-3H3,(H,21,26)/t18-/m0/s1
InChIKeyYPVWWSSGSCNXNE-SFHVURJKSA-N
XLogP2.54
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-N-[1-(pyrrolidine-1-carbonyl)-piperidin-4-yl]-propionamide
CID 648075
N-[1-(Pyrrolidine-1-carbonyl)-piperidin-4-yl]-acetamide
CID 651282
1-(1-Acetylpiperidin-4-yl)imidazolidin-2-one
CID 61061921
1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 71989763
2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 72141067
4-(1-methylpiperidin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-1-carboxamide
CID 172433199
2-Methyl-4-(2-methylpropyl)-8-propanoyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42676871
2-Propan-2-yl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42677384
N-cyclopentyl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
CID 71840439
2-(2-Methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
CID 91633691
2-(1-acetyl-4-piperidyl)-N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}acetamide
CID 91922799
(5S)-3-(2-oxo-2-piperidin-1-ylethyl)-5-propan-2-ylimidazolidine-2,4-dione
CID 52453989

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide (CID 164636833) is (3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC[C@H](N(CCCN2CCCC2)C(=O)C(C)C)C1.
What is the InChIKey of (3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide?
The InChIKey is YPVWWSSGSCNXNE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-4-10-21-20(26)23-14-7-9-18(16-23)24(19(25)17(2)3)15-8-13-22-11-5-6-12-22/h17-18H,4-16H2,1-3H3,(H,21,26)/t18-/m0/s1.
What are the key properties of (3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide?
(3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-methylpropanoyl(3-pyrrolidin-1-ylpropyl)amino]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 164636833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).