N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide

C17H26N2O2 — CID 3060810

IUPACN-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCCN1CCCO
InChIInChI=1S/C17H26N2O2/c1-13-7-5-8-14(2)16(13)18-17(21)15-9-3-4-10-19(15)11-6-12-20/h5,7-8,15,20H,3-4,6,9-12H2,1-2H3,(H,18,21)
InChIKeyMXUQZRSLRDEVPR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.48
Rot. Bonds5

About N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide

N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide (PubChem CID 3060810) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide
PubChem CID3060810
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCCN1CCCO
InChIInChI=1S/C17H26N2O2/c1-13-7-5-8-14(2)16(13)18-17(21)15-9-3-4-10-19(15)11-6-12-20/h5,7-8,15,20H,3-4,6,9-12H2,1-2H3,(H,18,21)
InChIKeyMXUQZRSLRDEVPR-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide (CID 3060810) is N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide is Cc1cccc(C)c1NC(=O)C1CCCCN1CCCO.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide?
The InChIKey is MXUQZRSLRDEVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-7-5-8-14(2)16(13)18-17(21)15-9-3-4-10-19(15)11-6-12-20/h5,7-8,15,20H,3-4,6,9-12H2,1-2H3,(H,18,21).
What are the key properties of N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide?
N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide is sourced from PubChem (CID 3060810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).