N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide

C18H28N2O — CID 119322605

IUPACN-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(CCCNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)16-9-7-15(8-10-16)5-3-12-20-18(21)17-6-4-11-19-13-17/h7-10,14,17,19H,3-6,11-13H2,1-2H3,(H,20,21)
InChIKeyLSTCHSURKJXLER-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.86
Rot. Bonds6

About N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide

N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide (PubChem CID 119322605) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
PubChem CID119322605
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(CCCNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)16-9-7-15(8-10-16)5-3-12-20-18(21)17-6-4-11-19-13-17/h7-10,14,17,19H,3-6,11-13H2,1-2H3,(H,20,21)
InChIKeyLSTCHSURKJXLER-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 119299643
N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide
CID 131951887
4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673587
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 110482448
N-(4-methylpentyl)piperidine-3-carboxamide
CID 61043776
(3S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 81133526
N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119273576
(3R)-N-[2-(4-nitrophenyl)ethyl]piperidine-3-carboxamide
CID 81140879
2-methyl-5-(piperidine-3-carbonylamino)pentanoic acid
CID 112547799

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide (CID 119322605) is N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide is CC(C)c1ccc(CCCNC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is LSTCHSURKJXLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)16-9-7-15(8-10-16)5-3-12-20-18(21)17-6-4-11-19-13-17/h7-10,14,17,19H,3-6,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide?
N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 119322605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).