N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide

C15H22N2O2 — CID 103822034

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCc2cccc(CO)c2)CCCNC1
InChIInChI=1S/C15H22N2O2/c1-15(6-3-7-16-11-15)14(19)17-9-12-4-2-5-13(8-12)10-18/h2,4-5,8,16,18H,3,6-7,9-11H2,1H3,(H,17,19)
InChIKeyUXCHGGWFJKABSJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.18
Rot. Bonds4

About N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide

N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 103822034) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
PubChem CID103822034
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCc2cccc(CO)c2)CCCNC1
InChIInChI=1S/C15H22N2O2/c1-15(6-3-7-16-11-15)14(19)17-9-12-4-2-5-13(8-12)10-18/h2,4-5,8,16,18H,3,6-7,9-11H2,1H3,(H,17,19)
InChIKeyUXCHGGWFJKABSJ-UHFFFAOYSA-N
XLogP1.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119944291
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 107218375
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119719922
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 86780162
N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758
N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 78962026
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide (CID 103822034) is N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide is CC1(C(=O)NCc2cccc(CO)c2)CCCNC1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is UXCHGGWFJKABSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(6-3-7-16-11-15)14(19)17-9-12-4-2-5-13(8-12)10-18/h2,4-5,8,16,18H,3,6-7,9-11H2,1H3,(H,17,19).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103822034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).