N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide

C20H24N2O2 — CID 119286636

IUPACN-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(COc2ccccc2)cc1)C1CCCNC1
InChIInChI=1S/C20H24N2O2/c23-20(18-5-4-12-21-14-18)22-13-16-8-10-17(11-9-16)15-24-19-6-2-1-3-7-19/h1-3,6-11,18,21H,4-5,12-15H2,(H,22,23)
InChIKeyMDHNIAZGRVMVIK-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.88
Rot. Bonds6

About N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide

N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119286636) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID119286636
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(COc2ccccc2)cc1)C1CCCNC1
InChIInChI=1S/C20H24N2O2/c23-20(18-5-4-12-21-14-18)22-13-16-8-10-17(11-9-16)15-24-19-6-2-1-3-7-19/h1-3,6-11,18,21H,4-5,12-15H2,(H,22,23)
InChIKeyMDHNIAZGRVMVIK-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119283165
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277649
N-[4-[(4-phenylphenyl)methoxy]phenyl]piperidine-3-carboxamide
CID 25222866
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide
CID 119312808
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
N-[2-(phenoxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119299182
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905

Frequently Asked Questions

What is the IUPAC name of N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide (CID 119286636) is N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccc(COc2ccccc2)cc1)C1CCCNC1.
What is the InChIKey of N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is MDHNIAZGRVMVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(18-5-4-12-21-14-18)22-13-16-8-10-17(11-9-16)15-24-19-6-2-1-3-7-19/h1-3,6-11,18,21H,4-5,12-15H2,(H,22,23).
What are the key properties of N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide?
N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119286636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).