(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide

C16H23N3O2 — CID 81125382

IUPAC(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C16H23N3O2/c17-15(20)8-10-19(12-13-5-2-1-3-6-13)16(21)14-7-4-9-18-11-14/h1-3,5-6,14,18H,4,7-12H2,(H2,17,20)/t14-/m0/s1
InChIKeyBPUXLEPBWCRTBX-AWEZNQCLSA-N
MW289.38 g/mol
LogP0.89
Rot. Bonds6

About (3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide

(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide (PubChem CID 81125382) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
PubChem CID81125382
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C16H23N3O2/c17-15(20)8-10-19(12-13-5-2-1-3-6-13)16(21)14-7-4-9-18-11-14/h1-3,5-6,14,18H,4,7-12H2,(H2,17,20)/t14-/m0/s1
InChIKeyBPUXLEPBWCRTBX-AWEZNQCLSA-N
XLogP0.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-benzylpiperidine-3-carboxamide
CID 119323255
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 81126278
4-[(3-amino-3-oxopropyl)-benzylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672388
3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
CID 119696818
(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
CID 104913263
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-(3-hydroxy-3-methylbutyl)-N-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 68635251

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide (CID 81125382) is (3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide is NC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide?
The InChIKey is BPUXLEPBWCRTBX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-15(20)8-10-19(12-13-5-2-1-3-6-13)16(21)14-7-4-9-18-11-14/h1-3,5-6,14,18H,4,7-12H2,(H2,17,20)/t14-/m0/s1.
What are the key properties of (3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide?
(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide is sourced from PubChem (CID 81125382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).