1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide

C22H34N2O2 — CID 47986994

IUPAC1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)cc1
InChIInChI=1S/C22H34N2O2/c1-15(2)17-9-11-18(12-10-17)16(3)23-20(25)19-8-7-13-24(14-19)21(26)22(4,5)6/h9-12,15-16,19H,7-8,13-14H2,1-6H3,(H,23,25)
InChIKeyUURMPPWBFUMQIO-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.27
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 47986994) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID47986994
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)cc1
InChIInChI=1S/C22H34N2O2/c1-15(2)17-9-11-18(12-10-17)16(3)23-20(25)19-8-7-13-24(14-19)21(26)22(4,5)6/h9-12,15-16,19H,7-8,13-14H2,1-6H3,(H,23,25)
InChIKeyUURMPPWBFUMQIO-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430
tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 24515347
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 94798800
3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide
CID 43022867
N-[1-(4-bromophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 112761911
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
(3R)-1-methyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95706399
(3R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 94609410
(3S)-1-N-phenyl-3-N-[(1S)-1-(4-phenylphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 41073570
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide
CID 52508214
(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95904024

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide (CID 47986994) is 1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide is CC(C)c1ccc(C(C)NC(=O)C2CCCN(C(=O)C(C)(C)C)C2)cc1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is UURMPPWBFUMQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-15(2)17-9-11-18(12-10-17)16(3)23-20(25)19-8-7-13-24(14-19)21(26)22(4,5)6/h9-12,15-16,19H,7-8,13-14H2,1-6H3,(H,23,25).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 47986994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).