4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide

C16H30N4O2 — CID 95589080

IUPAC4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide
SMILESCC(C)N1CC[C@H](CNC(=O)N2CCC(CC(N)=O)CC2)C1
InChIInChI=1S/C16H30N4O2/c1-12(2)20-8-5-14(11-20)10-18-16(22)19-6-3-13(4-7-19)9-15(17)21/h12-14H,3-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/m1/s1
InChIKeyWIFSYTSZNMBRKM-CQSZACIVSA-N
MW310.44 g/mol
LogP1.01
Rot. Bonds5

About 4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide

4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide (PubChem CID 95589080) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide
PubChem CID95589080
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide
SMILESCC(C)N1CC[C@H](CNC(=O)N2CCC(CC(N)=O)CC2)C1
InChIInChI=1S/C16H30N4O2/c1-12(2)20-8-5-14(11-20)10-18-16(22)19-6-3-13(4-7-19)9-15(17)21/h12-14H,3-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/m1/s1
InChIKeyWIFSYTSZNMBRKM-CQSZACIVSA-N
XLogP1.01
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-N-[1-(pyrrolidine-1-carbonyl)-piperidin-4-yl]-propionamide
CID 648075
Piperidine-1,3-dicarboxylic acid 3-sec-butylamide 1-cyclohexylamide
CID 3222852
N~4~-isopropyl-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3235986
N~4~-(sec-butyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3239385
1-N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 71989763
N-[2-(cyclopentanecarbonylamino)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
CID 72145133
2-Isobutyl-8-[(2-oxoimidazolidin-4-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72917943
1-[2-(dimethylamino)ethyl]-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493711
3-Methyl-5-(piperidin-4-yl)imidazolidine-2,4-dione hydrochloride
CID 137951365
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide (CID 95589080) is 4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide is CC(C)N1CC[C@H](CNC(=O)N2CCC(CC(N)=O)CC2)C1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide?
The InChIKey is WIFSYTSZNMBRKM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-12(2)20-8-5-14(11-20)10-18-16(22)19-6-3-13(4-7-19)9-15(17)21/h12-14H,3-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/m1/s1.
What are the key properties of 4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide?
4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 95589080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).