N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide

C19H21ClN2O — CID 17152955

IUPACN-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2O/c20-17-7-4-8-18(13-17)22-11-9-16(10-12-22)19(23)21-14-15-5-2-1-3-6-15/h1-8,13,16H,9-12,14H2,(H,21,23)
InChIKeyKDANCKRIEBAXES-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.87
Rot. Bonds4

About N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide

N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide (PubChem CID 17152955) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
PubChem CID17152955
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClN2O/c20-17-7-4-8-18(13-17)22-11-9-16(10-12-22)19(23)21-14-15-5-2-1-3-6-15/h1-8,13,16H,9-12,14H2,(H,21,23)
InChIKeyKDANCKRIEBAXES-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 53202309
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442
1-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 1477781
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43917657
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031
N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
N-[(3-chlorophenyl)methyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358570
N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146132
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide (CID 17152955) is N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide?
The InChIKey is KDANCKRIEBAXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-7-4-8-18(13-17)22-11-9-16(10-12-22)19(23)21-14-15-5-2-1-3-6-15/h1-8,13,16H,9-12,14H2,(H,21,23).
What are the key properties of N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide?
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).