N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide

C14H20N2O2 — CID 113357142

IUPACN-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccc(O)cc2)CCCNC1
InChIInChI=1S/C14H20N2O2/c1-14(7-2-8-15-10-14)13(18)16-9-11-3-5-12(17)6-4-11/h3-6,15,17H,2,7-10H2,1H3,(H,16,18)
InChIKeyZOPCHYDFCNBSLK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.40
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide

N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 113357142) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
PubChem CID113357142
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccc(O)cc2)CCCNC1
InChIInChI=1S/C14H20N2O2/c1-14(7-2-8-15-10-14)13(18)16-9-11-3-5-12(17)6-4-11/h3-6,15,17H,2,7-10H2,1H3,(H,16,18)
InChIKeyZOPCHYDFCNBSLK-UHFFFAOYSA-N
XLogP1.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119944132
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119944291
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 119943959
N-[(4-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119673811
N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 107231871

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide (CID 113357142) is N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide is CC1(C(=O)NCc2ccc(O)cc2)CCCNC1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is ZOPCHYDFCNBSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(7-2-8-15-10-14)13(18)16-9-11-3-5-12(17)6-4-11/h3-6,15,17H,2,7-10H2,1H3,(H,16,18).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide?
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 113357142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).