N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C14H19ClN2O2 — CID 84528802

IUPACN-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCCC(CO)C1
InChIInChI=1S/C14H19ClN2O2/c15-13-5-3-11(4-6-13)8-16-14(19)17-7-1-2-12(9-17)10-18/h3-6,12,18H,1-2,7-10H2,(H,16,19)
InChIKeyZMOPZIQDOCRUIN-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.25
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 84528802) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID84528802
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCCC(CO)C1
InChIInChI=1S/C14H19ClN2O2/c15-13-5-3-11(4-6-13)8-16-14(19)17-7-1-2-12(9-17)10-18/h3-6,12,18H,1-2,7-10H2,(H,16,19)
InChIKeyZMOPZIQDOCRUIN-UHFFFAOYSA-N
XLogP2.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 84528802) is N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1)N1CCCC(CO)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is ZMOPZIQDOCRUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-5-3-11(4-6-13)8-16-14(19)17-7-1-2-12(9-17)10-18/h3-6,12,18H,1-2,7-10H2,(H,16,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 84528802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).