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

C20H28N2O2 — CID 51000910

IUPAC1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(C(=O)CC3CC3)CC2)cc1
InChIInChI=1S/C20H28N2O2/c1-14(2)16-5-7-18(8-6-16)21-20(24)17-9-11-22(12-10-17)19(23)13-15-3-4-15/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyBXSWFMRFFXQVDG-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.79
Rot. Bonds5

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

1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 51000910) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID51000910
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(C(=O)CC3CC3)CC2)cc1
InChIInChI=1S/C20H28N2O2/c1-14(2)16-5-7-18(8-6-16)21-20(24)17-9-11-22(12-10-17)19(23)13-15-3-4-15/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKeyBXSWFMRFFXQVDG-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
CID 46428935
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
1-[2-(4-methoxyphenyl)acetyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006818
1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006809
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
1-N,1-N-dimethyl-4-N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]piperidine-1,4-dicarboxamide
CID 60614939
1-[2-(cyclopropylmethylamino)acetyl]-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119768106
tert-butyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 158081768
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 51000910) is 1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccc(NC(=O)C2CCN(C(=O)CC3CC3)CC2)cc1.
What is the InChIKey of 1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is BXSWFMRFFXQVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14(2)16-5-7-18(8-6-16)21-20(24)17-9-11-22(12-10-17)19(23)13-15-3-4-15/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,21,24).
What are the key properties of 1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 51000910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).