3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide

C17H26N2O3 — CID 110882626

IUPAC3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCCC(CO)C1)c1ccc(OC)cc1
InChIInChI=1S/C17H26N2O3/c1-3-16(14-6-8-15(22-2)9-7-14)18-17(21)19-10-4-5-13(11-19)12-20/h6-9,13,16,20H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeySNYQFJWPKZCBSB-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.56
Rot. Bonds5

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

3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide (PubChem CID 110882626) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
PubChem CID110882626
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCCC(CO)C1)c1ccc(OC)cc1
InChIInChI=1S/C17H26N2O3/c1-3-16(14-6-8-15(22-2)9-7-14)18-17(21)19-10-4-5-13(11-19)12-20/h6-9,13,16,20H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeySNYQFJWPKZCBSB-UHFFFAOYSA-N
XLogP2.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 110882612
3-(hydroxymethyl)-N-[3-(4-methoxyphenyl)butyl]piperidine-1-carboxamide
CID 71868016
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443595
4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 87000052
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3298248
(3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide
CID 95597540
1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122014818
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 95267023
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide (CID 110882626) is 3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide is CCC(NC(=O)N1CCCC(CO)C1)c1ccc(OC)cc1.
What is the InChIKey of 3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide?
The InChIKey is SNYQFJWPKZCBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-16(14-6-8-15(22-2)9-7-14)18-17(21)19-10-4-5-13(11-19)12-20/h6-9,13,16,20H,3-5,10-12H2,1-2H3,(H,18,21).
What are the key properties of 3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 110882626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).