1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide

C20H22ClN3O2 — CID 47064463

IUPAC1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C20H22ClN3O2/c21-17-7-5-15(6-8-17)20(26)23-12-14-3-9-18(10-4-14)24-11-1-2-16(13-24)19(22)25/h3-10,16H,1-2,11-13H2,(H2,22,25)(H,23,26)
InChIKeyYDIJDABNANGDBJ-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.97
Rot. Bonds5

About 1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide

1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide (PubChem CID 47064463) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
PubChem CID47064463
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C20H22ClN3O2/c21-17-7-5-15(6-8-17)20(26)23-12-14-3-9-18(10-4-14)24-11-1-2-16(13-24)19(22)25/h3-10,16H,1-2,11-13H2,(H2,22,25)(H,23,26)
InChIKeyYDIJDABNANGDBJ-UHFFFAOYSA-N
XLogP2.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631
(3S)-1-[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]piperidine-3-carboxamide
CID 51966572
(3R)-1-[4-[[(5-methylfuran-2-carbonyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 94632476
1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
CID 56797802
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
N-[[4-(3-carbamoylpiperidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 170858740
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
CID 94640128
(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94467987
1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide
CID 47062453
(3R)-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 94173719

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide (CID 47064463) is 1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is YDIJDABNANGDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-17-7-5-15(6-8-17)20(26)23-12-14-3-9-18(10-4-14)24-11-1-2-16(13-24)19(22)25/h3-10,16H,1-2,11-13H2,(H2,22,25)(H,23,26).
What are the key properties of 1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide?
1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 47064463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).