4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide

C14H20N2O3 — CID 61320986

IUPAC4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C14H20N2O3/c1-19-13-4-2-3-12(9-13)15-14(18)16-7-5-11(10-17)6-8-16/h2-4,9,11,17H,5-8,10H2,1H3,(H,15,18)
InChIKeyXPPLDNJLONAOAV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.93
Rot. Bonds3

About 4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide

4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 61320986) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
PubChem CID61320986
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C14H20N2O3/c1-19-13-4-2-3-12(9-13)15-14(18)16-7-5-11(10-17)6-8-16/h2-4,9,11,17H,5-8,10H2,1H3,(H,15,18)
InChIKeyXPPLDNJLONAOAV-UHFFFAOYSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide
CID 20930658
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
N-[3-(difluoromethoxy)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443095
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-1-carboxamide
CID 111443082

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide (CID 61320986) is 4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(CO)CC2)c1.
What is the InChIKey of 4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is XPPLDNJLONAOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-4-2-3-12(9-13)15-14(18)16-7-5-11(10-17)6-8-16/h2-4,9,11,17H,5-8,10H2,1H3,(H,15,18).
What are the key properties of 4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 61320986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).