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

C17H26N2O2 — CID 110890423

IUPACN-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-2-3-5-14-7-9-16(10-8-14)18-17(21)19-11-4-6-15(12-19)13-20/h7-10,15,20H,2-6,11-13H2,1H3,(H,18,21)
InChIKeySBEBIGOXBQHPNU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.27
Rot. Bonds5

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

N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110890423) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110890423
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-2-3-5-14-7-9-16(10-8-14)18-17(21)19-11-4-6-15(12-19)13-20/h7-10,15,20H,2-6,11-13H2,1H3,(H,18,21)
InChIKeySBEBIGOXBQHPNU-UHFFFAOYSA-N
XLogP3.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617432
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
N-(4-butylphenyl)-4-(3-cyclopropylpropanoyl)-1,4-diazepane-1-carboxamide
CID 24948113
N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 111797796
2-[1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689955
N-[2-(4-ethylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111435204
N-[4-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 43403590
(3R)-1-[(4-butylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628911
3-(hydroxymethyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 110890794

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 110890423) is N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide is CCCCc1ccc(NC(=O)N2CCCC(CO)C2)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is SBEBIGOXBQHPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-5-14-7-9-16(10-8-14)18-17(21)19-11-4-6-15(12-19)13-20/h7-10,15,20H,2-6,11-13H2,1H3,(H,18,21).
What are the key properties of N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110890423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).