N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C14H19ClN2O2 — CID 110894603

IUPACN-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)N1CCC(CO)CC1
InChIInChI=1S/C14H19ClN2O2/c15-13-4-2-1-3-12(13)9-16-14(19)17-7-5-11(10-18)6-8-17/h1-4,11,18H,5-10H2,(H,16,19)
InChIKeyDJDQECURIWWUJU-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.25
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110894603) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110894603
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)N1CCC(CO)CC1
InChIInChI=1S/C14H19ClN2O2/c15-13-4-2-1-3-12(13)9-16-14(19)17-7-5-11(10-18)6-8-17/h1-4,11,18H,5-10H2,(H,16,19)
InChIKeyDJDQECURIWWUJU-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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Related Compounds

4-(hydroxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 110896115
N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 55064418
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110922372
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874
N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3851823
3-(hydroxymethyl)-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyrrolidine-1-carboxamide
CID 111508966
N-[2-(2-fluorophenyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895026
N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 23767591
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104911

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 110894603) is N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCc1ccccc1Cl)N1CCC(CO)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is DJDQECURIWWUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-4-2-1-3-12(13)9-16-14(19)17-7-5-11(10-18)6-8-17/h1-4,11,18H,5-10H2,(H,16,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[(2-chlorophenyl)methyl]-4-(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-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110894603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).