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

C17H26N2O2 — CID 110882612

IUPAC3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCCC(CO)C1)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2/c1-3-16(15-8-6-13(2)7-9-15)18-17(21)19-10-4-5-14(11-19)12-20/h6-9,14,16,20H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeyJARBAGOWRCIFTR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.86
Rot. Bonds4

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

3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide (PubChem CID 110882612) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide
PubChem CID110882612
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCCC(CO)C1)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2/c1-3-16(15-8-6-13(2)7-9-15)18-17(21)19-10-4-5-14(11-19)12-20/h6-9,14,16,20H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeyJARBAGOWRCIFTR-UHFFFAOYSA-N
XLogP2.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 110882626
3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
CID 110882604
4-cyclohexyloxy-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 86874095
2-cyclohexyl-1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110633226
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 43403363
3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide
CID 111456099
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1-pyridin-4-ylpropyl)piperidine-1-carboxamide
CID 136529525
3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 111439039

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide (CID 110882612) is 3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide is CCC(NC(=O)N1CCCC(CO)C1)c1ccc(C)cc1.
What is the InChIKey of 3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide?
The InChIKey is JARBAGOWRCIFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-16(15-8-6-13(2)7-9-15)18-17(21)19-10-4-5-14(11-19)12-20/h6-9,14,16,20H,3-5,10-12H2,1-2H3,(H,18,21).
What are the key properties of 3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 110882612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).