N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide

C19H25N3O2 — CID 89183110

IUPACN-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(C3=CCCCC3)ccc2N)CC1=O
InChIInChI=1S/C19H25N3O2/c1-22-10-9-15(12-18(22)23)19(24)21-17-11-14(7-8-16(17)20)13-5-3-2-4-6-13/h5,7-8,11,15H,2-4,6,9-10,12,20H2,1H3,(H,21,24)
InChIKeyNEDGKXJNXABVIK-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.03
Rot. Bonds3

About N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide

N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 89183110) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID89183110
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(C3=CCCCC3)ccc2N)CC1=O
InChIInChI=1S/C19H25N3O2/c1-22-10-9-15(12-18(22)23)19(24)21-17-11-14(7-8-16(17)20)13-5-3-2-4-6-13/h5,7-8,11,15H,2-4,6,9-10,12,20H2,1H3,(H,21,24)
InChIKeyNEDGKXJNXABVIK-UHFFFAOYSA-N
XLogP3.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 89183175
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 119618709
N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 89183145
2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid
CID 129467310
1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide
CID 89183109
3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea
CID 86712527
1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate
CID 146183709
N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 167834230
(4R)-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpiperidin-2-one
CID 94208887
N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 59737223
N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 112557420
N-(2-amino-5-methoxyphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119420735

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide (CID 89183110) is N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cc(C3=CCCCC3)ccc2N)CC1=O.
What is the InChIKey of N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is NEDGKXJNXABVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22-10-9-15(12-18(22)23)19(24)21-17-11-14(7-8-16(17)20)13-5-3-2-4-6-13/h5,7-8,11,15H,2-4,6,9-10,12,20H2,1H3,(H,21,24).
What are the key properties of N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide?
N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 89183110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).