(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide

C16H23N3O2 — CID 104913263

IUPAC(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C16H23N3O2/c17-15(20)9-11-19(12-13-6-2-1-3-7-13)16(21)14-8-4-5-10-18-14/h1-3,6-7,14,18H,4-5,8-12H2,(H2,17,20)/t14-/m1/s1
InChIKeyWHFDHFXZQZLKDJ-CQSZACIVSA-N
MW289.38 g/mol
LogP1.03
Rot. Bonds6

About (2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide

(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide (PubChem CID 104913263) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
PubChem CID104913263
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1CCCCN1
InChIInChI=1S/C16H23N3O2/c17-15(20)9-11-19(12-13-6-2-1-3-7-13)16(21)14-8-4-5-10-18-14/h1-3,6-7,14,18H,4-5,8-12H2,(H2,17,20)/t14-/m1/s1
InChIKeyWHFDHFXZQZLKDJ-CQSZACIVSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-propylazepane-2-carboxamide
CID 64564177
(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
CID 81125382
4-[(3-amino-3-oxopropyl)-benzylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672388
N-benzyl-N-cyclopropylpiperidine-2-carboxamide
CID 43579225
N-(3-phenylpropanoyl)piperidine-2-carbohydrazide
CID 23000717
3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
CID 119696818
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide
CID 104913230
(2R)-N,N-bis(2-amino-2-oxoethyl)piperidine-2-carboxamide
CID 104913884
N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 50960994
N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide
CID 60619843
ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate
CID 166245749

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide (CID 104913263) is (2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide is NC(=O)CCN(Cc1ccccc1)C(=O)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide?
The InChIKey is WHFDHFXZQZLKDJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-15(20)9-11-19(12-13-6-2-1-3-7-13)16(21)14-8-4-5-10-18-14/h1-3,6-7,14,18H,4-5,8-12H2,(H2,17,20)/t14-/m1/s1.
What are the key properties of (2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide?
(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide is sourced from PubChem (CID 104913263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).