N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide

C12H21N3O2 — CID 103805817

IUPACN-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H21N3O2/c13-9-3-1-2-4-10(9)15-12(17)8-5-6-11(16)14-7-8/h8-10H,1-7,13H2,(H,14,16)(H,15,17)/t8?,9-,10-/m1/s1
InChIKeyJAGREMGXXQUABC-VXRWAFEHSA-N
MW239.32 g/mol
LogP-0.10
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide

N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide (PubChem CID 103805817) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide
PubChem CID103805817
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H21N3O2/c13-9-3-1-2-4-10(9)15-12(17)8-5-6-11(16)14-7-8/h8-10H,1-7,13H2,(H,14,16)(H,15,17)/t8?,9-,10-/m1/s1
InChIKeyJAGREMGXXQUABC-VXRWAFEHSA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119611735
N-[2-(aminomethyl)cyclopentyl]-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119604175
6-oxopiperidine-3-carbohydrazide
CID 126970948
N-(2-aminocyclopentyl)cyclopentanecarboxamide
CID 63251373
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
cis-(1R,3S)-3-[(6-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321143
6-oxo-N-[(3S)-pyrrolidin-3-yl]piperidine-3-carboxamide
CID 83192394
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
N-(2-aminocycloheptyl)oxane-4-carboxamide
CID 63258152
N-[3-(dimethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112728984
N-(1-azaspiro[5.5]undecan-4-yl)-6-oxopiperidine-3-carboxamide
CID 83192678
N-(6-oxopiperidin-3-yl)pyrrolidine-3-carboxamide
CID 63663368

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide (CID 103805817) is N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide is N[C@@H]1CCCC[C@H]1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is JAGREMGXXQUABC-VXRWAFEHSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-9-3-1-2-4-10(9)15-12(17)8-5-6-11(16)14-7-8/h8-10H,1-7,13H2,(H,14,16)(H,15,17)/t8?,9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide?
N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 103805817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).