(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide

C12H21N3O2 — CID 94161419

IUPAC(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESNC(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1
InChIInChI=1S/C12H21N3O2/c13-11(16)8-15-5-1-2-10(7-15)12(17)14-6-9-3-4-9/h9-10H,1-8H2,(H2,13,16)(H,14,17)/t10-/m0/s1
InChIKeyMXRCFBZRCIJDGR-JTQLQIEISA-N
MW239.32 g/mol
LogP-0.29
Rot. Bonds5

About (3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide

(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide (PubChem CID 94161419) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
PubChem CID94161419
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESNC(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1
InChIInChI=1S/C12H21N3O2/c13-11(16)8-15-5-1-2-10(7-15)12(17)14-6-9-3-4-9/h9-10H,1-8H2,(H2,13,16)(H,14,17)/t10-/m0/s1
InChIKeyMXRCFBZRCIJDGR-JTQLQIEISA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161409
N-(cyclopropylmethyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 86993577
1-(2-amino-2-oxoethyl)-N-[2-(1-hydroxycyclopentyl)ethyl]piperidine-3-carboxamide
CID 131907538
1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 136577033
N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512490
methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate
CID 100620951
ethyl 6-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]hexanoate
CID 95346670
N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 51081872
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
1-(2-amino-2-oxoethyl)-N-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]piperidine-3-carboxamide
CID 131937690
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
CID 131924742

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide (CID 94161419) is (3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide is NC(=O)CN1CCC[C@H](C(=O)NCC2CC2)C1.
What is the InChIKey of (3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The InChIKey is MXRCFBZRCIJDGR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O2/c13-11(16)8-15-5-1-2-10(7-15)12(17)14-6-9-3-4-9/h9-10H,1-8H2,(H2,13,16)(H,14,17)/t10-/m0/s1.
What are the key properties of (3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide?
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 94161419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).