N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide

C17H26N2O — CID 115581766

IUPACN-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-4-5-15-6-8-16(9-7-15)18-17(20)19-12-10-14(2)11-13-19/h6-9,14H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyVBLLNODMMLPCOY-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.29
Rot. Bonds4

About N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide

N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 115581766) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
PubChem CID115581766
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
SMILESCCCCc1ccc(NC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-4-5-15-6-8-16(9-7-15)18-17(20)19-12-10-14(2)11-13-19/h6-9,14H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyVBLLNODMMLPCOY-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914
N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110890423
4-[(4-butylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240911
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30388448
N-(4-butylphenyl)-4-(3-cyclopropylpropanoyl)-1,4-diazepane-1-carboxamide
CID 24948113
2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617432
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
tert-butyl 4-[(4-butylphenyl)carbamoyl]-1,4-diazepane-1-carboxylate
CID 59143338
N-(4-butylphenyl)-3-methylpiperidine-1-carbothioamide
CID 2946484
N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide
CID 71992880

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide (CID 115581766) is N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide is CCCCc1ccc(NC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is VBLLNODMMLPCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-4-5-15-6-8-16(9-7-15)18-17(20)19-12-10-14(2)11-13-19/h6-9,14H,3-5,10-13H2,1-2H3,(H,18,20).
What are the key properties of N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide?
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 115581766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).