1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide

C19H28N2O2 — CID 47984430

IUPAC1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-14(15-9-6-5-7-10-15)20-17(22)16-11-8-12-21(13-16)18(23)19(2,3)4/h5-7,9-10,14,16H,8,11-13H2,1-4H3,(H,20,22)
InChIKeyATUFTTCGYVHTRJ-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.15
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 47984430) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
PubChem CID47984430
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-14(15-9-6-5-7-10-15)20-17(22)16-11-8-12-21(13-16)18(23)19(2,3)4/h5-7,9-10,14,16H,8,11-13H2,1-4H3,(H,20,22)
InChIKeyATUFTTCGYVHTRJ-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 47986994
1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide
CID 111471679
1-(2,2-dimethylpropanoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-3-carboxamide
CID 56520429
(3S)-1-N-phenyl-3-N-[(1S)-1-(4-phenylphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 41073570
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 7319798
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 94798800
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591036
tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 24515347

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide (CID 47984430) is 1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide is CC(NC(=O)C1CCCN(C(=O)C(C)(C)C)C1)c1ccccc1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is ATUFTTCGYVHTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(15-9-6-5-7-10-15)20-17(22)16-11-8-12-21(13-16)18(23)19(2,3)4/h5-7,9-10,14,16H,8,11-13H2,1-4H3,(H,20,22).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.15, 3 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-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 47984430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).