1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide

C19H28N2O — CID 171097073

IUPAC1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCN(CC2CC2)CC1
InChIInChI=1S/C19H28N2O/c1-14(2)17-5-3-4-6-18(17)20-19(22)16-9-11-21(12-10-16)13-15-7-8-15/h3-6,14-16H,7-13H2,1-2H3,(H,20,22)
InChIKeyQBSAAKJLLUTALH-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.87
Rot. Bonds5

About 1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide

1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 171097073) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID171097073
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)C1CCN(CC2CC2)CC1
InChIInChI=1S/C19H28N2O/c1-14(2)17-5-3-4-6-18(17)20-19(22)16-9-11-21(12-10-16)13-15-7-8-15/h3-6,14-16H,7-13H2,1-2H3,(H,20,22)
InChIKeyQBSAAKJLLUTALH-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171096968
1-(naphthalen-1-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 43923942
1-(cyclopropylmethyl)-N-[2-[[(2-fluorocyclopropanecarbonyl)amino]-(4-propan-2-ylphenyl)methyl]phenyl]piperidine-4-carboxamide
CID 171097066
1-(cyclopropylmethyl)-N-[2-[(R)-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-(4-propan-2-ylphenyl)methyl]phenyl]piperidine-4-carboxamide
CID 171097053
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
4-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 109147545
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556
1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006797
4-(4-methylpiperidine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 109146286
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-propylpiperidine-4-carboxamide
CID 86920153

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide (CID 171097073) is 1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccccc1NC(=O)C1CCN(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is QBSAAKJLLUTALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14(2)17-5-3-4-6-18(17)20-19(22)16-9-11-21(12-10-16)13-15-7-8-15/h3-6,14-16H,7-13H2,1-2H3,(H,20,22).
What are the key properties of 1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 171097073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).