N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide

C19H30N2O — CID 119273047

IUPACN-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide
SMILESCCCc1ccc(C(NC(=O)C2CCNCC2)C(C)C)cc1
InChIInChI=1S/C19H30N2O/c1-4-5-15-6-8-16(9-7-15)18(14(2)3)21-19(22)17-10-12-20-13-11-17/h6-9,14,17-18,20H,4-5,10-13H2,1-3H3,(H,21,22)
InChIKeyUYFZJVOXMUBWMD-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.45
Rot. Bonds6

About N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide

N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 119273047) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide
PubChem CID119273047
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide
SMILESCCCc1ccc(C(NC(=O)C2CCNCC2)C(C)C)cc1
InChIInChI=1S/C19H30N2O/c1-4-5-15-6-8-16(9-7-15)18(14(2)3)21-19(22)17-10-12-20-13-11-17/h6-9,14,17-18,20H,4-5,10-13H2,1-3H3,(H,21,22)
InChIKeyUYFZJVOXMUBWMD-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-methyl-1-(4-propylphenyl)propyl]cyclopentane-1-carboxamide
CID 119692874
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 119274977
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-piperidin-4-ylacetamide
CID 119691647
1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122000188
N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 42953350
(2R)-2-amino-N-[2-methyl-1-(4-propylphenyl)propyl]propanamide
CID 119273049
4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid
CID 122031119
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
(2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 61273456
N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119288096
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-[2-methyl-1-(4-propylphenyl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18272245

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide (CID 119273047) is N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide is CCCc1ccc(C(NC(=O)C2CCNCC2)C(C)C)cc1.
What is the InChIKey of N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is UYFZJVOXMUBWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-5-15-6-8-16(9-7-15)18(14(2)3)21-19(22)17-10-12-20-13-11-17/h6-9,14,17-18,20H,4-5,10-13H2,1-3H3,(H,21,22).
What are the key properties of N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide?
N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-propylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 119273047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).