3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide

C16H24N2O3 — CID 110923971

IUPAC3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide
SMILESCOC(C)c1cccc(NC(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C16H24N2O3/c1-12(21-2)14-6-3-7-15(9-14)17-16(20)18-8-4-5-13(10-18)11-19/h3,6-7,9,12-13,19H,4-5,8,10-11H2,1-2H3,(H,17,20)
InChIKeyZRPXUQRVLDDZBP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.63
Rot. Bonds4

About 3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide (PubChem CID 110923971) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide
PubChem CID110923971
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide
SMILESCOC(C)c1cccc(NC(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C16H24N2O3/c1-12(21-2)14-6-3-7-15(9-14)17-16(20)18-8-4-5-13(10-18)11-19/h3,6-7,9,12-13,19H,4-5,8,10-11H2,1-2H3,(H,17,20)
InChIKeyZRPXUQRVLDDZBP-UHFFFAOYSA-N
XLogP2.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003800
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347
(3R)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530938
(3S)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530937
(3aS,7aS)-N-[3-[(1R)-1-methoxyethyl]phenyl]-5-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carboxamide
CID 97261303
(3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 96546479
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 86988216
N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide
CID 97088860
N-[3-(difluoromethoxy)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443095
3-(2-hydroxyethyl)-N-[3-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 114799612
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide (CID 110923971) is 3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide is COC(C)c1cccc(NC(=O)N2CCCC(CO)C2)c1.
What is the InChIKey of 3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is ZRPXUQRVLDDZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(21-2)14-6-3-7-15(9-14)17-16(20)18-8-4-5-13(10-18)11-19/h3,6-7,9,12-13,19H,4-5,8,10-11H2,1-2H3,(H,17,20).
What are the key properties of 3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 110923971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).