1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide

C20H27N3O2 — CID 51956887

IUPAC1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(NC(=O)C[C@@H]3C=CCC3)c2)CC1
InChIInChI=1S/C20H27N3O2/c21-20(25)17-8-10-23(11-9-17)14-16-6-3-7-18(12-16)22-19(24)13-15-4-1-2-5-15/h1,3-4,6-7,12,15,17H,2,5,8-11,13-14H2,(H2,21,25)(H,22,24)/t15-/m1/s1
InChIKeyYBHCKRYIDJXLRW-OAHLLOKOSA-N
MW341.45 g/mol
LogP2.68
Rot. Bonds6

About 1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide

1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 51956887) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID51956887
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(NC(=O)C[C@@H]3C=CCC3)c2)CC1
InChIInChI=1S/C20H27N3O2/c21-20(25)17-8-10-23(11-9-17)14-16-6-3-7-18(12-16)22-19(24)13-15-4-1-2-5-15/h1,3-4,6-7,12,15,17H,2,5,8-11,13-14H2,(H2,21,25)(H,22,24)/t15-/m1/s1
InChIKeyYBHCKRYIDJXLRW-OAHLLOKOSA-N
XLogP2.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-2-en-1-yl-N-[3-(sulfamoylmethyl)phenyl]acetamide
CID 86865204
2-cyclopent-2-en-1-yl-N-(3-hydroxyphenyl)acetamide
CID 43183292
2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide
CID 60728386
1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853105
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 71941024
1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55858271
1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 119853084
1-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853121
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
1-[[3-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 55801497
1-[[3-[[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55859803

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide (CID 51956887) is 1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2cccc(NC(=O)C[C@@H]3C=CCC3)c2)CC1.
What is the InChIKey of 1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is YBHCKRYIDJXLRW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3O2/c21-20(25)17-8-10-23(11-9-17)14-16-6-3-7-18(12-16)22-19(24)13-15-4-1-2-5-15/h1,3-4,6-7,12,15,17H,2,5,8-11,13-14H2,(H2,21,25)(H,22,24)/t15-/m1/s1.
What are the key properties of 1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 51956887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).