1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide

C19H28N2O2 — CID 110674012

IUPAC1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
SMILESCC(Cc1ccc(C(C)C)cc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N2O2/c1-13(2)16-6-4-15(5-7-16)12-14(3)19(23)21-10-8-17(9-11-21)18(20)22/h4-7,13-14,17H,8-12H2,1-3H3,(H2,20,22)
InChIKeyBJCXOBYNOATEES-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.71
Rot. Bonds5

About 1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide

1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide (PubChem CID 110674012) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
PubChem CID110674012
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
SMILESCC(Cc1ccc(C(C)C)cc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H28N2O2/c1-13(2)16-6-4-15(5-7-16)12-14(3)19(23)21-10-8-17(9-11-21)18(20)22/h4-7,13-14,17H,8-12H2,1-3H3,(H2,20,22)
InChIKeyBJCXOBYNOATEES-UHFFFAOYSA-N
XLogP2.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one
CID 110674004
1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
CID 51218966
2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one
CID 20770261
N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
CID 91311863
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 40514699
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 119410179
2-methyl-1-[4-(methylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119560684
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119484156
1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 75524212
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
[3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea
CID 51177681
1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 3859595

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide (CID 110674012) is 1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide is CC(Cc1ccc(C(C)C)cc1)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide?
The InChIKey is BJCXOBYNOATEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)16-6-4-15(5-7-16)12-14(3)19(23)21-10-8-17(9-11-21)18(20)22/h4-7,13-14,17H,8-12H2,1-3H3,(H2,20,22).
What are the key properties of 1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide?
1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 110674012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).