4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide

C17H27N3O — CID 75428155

IUPAC4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide
SMILESCc1ccc(CCC(C)NC2CCN(C(N)=O)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-13-3-6-15(7-4-13)8-5-14(2)19-16-9-11-20(12-10-16)17(18)21/h3-4,6-7,14,16,19H,5,8-12H2,1-2H3,(H2,18,21)
InChIKeyBCBZIYRTCHEYCI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.45
Rot. Bonds5

About 4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide

4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide (PubChem CID 75428155) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide
PubChem CID75428155
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide
SMILESCc1ccc(CCC(C)NC2CCN(C(N)=O)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-13-3-6-15(7-4-13)8-5-14(2)19-16-9-11-20(12-10-16)17(18)21/h3-4,6-7,14,16,19H,5,8-12H2,1-2H3,(H2,18,21)
InChIKeyBCBZIYRTCHEYCI-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide (CID 75428155) is 4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide is Cc1ccc(CCC(C)NC2CCN(C(N)=O)CC2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide?
The InChIKey is BCBZIYRTCHEYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-3-6-15(7-4-13)8-5-14(2)19-16-9-11-20(12-10-16)17(18)21/h3-4,6-7,14,16,19H,5,8-12H2,1-2H3,(H2,18,21).
What are the key properties of 4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide?
4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)butan-2-ylamino]piperidine-1-carboxamide is sourced from PubChem (CID 75428155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).