N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C22H28N2O2S — CID 55643259

IUPACN-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCCN(C(=O)c2cccs2)C1)c1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-22(2,3)19(16-9-5-4-6-10-16)23-20(25)17-11-7-13-24(15-17)21(26)18-12-8-14-27-18/h4-6,8-10,12,14,17,19H,7,11,13,15H2,1-3H3,(H,23,25)
InChIKeyVCQUIAIOHCERST-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.50
Rot. Bonds4

About N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55643259) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID55643259
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCCN(C(=O)c2cccs2)C1)c1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-22(2,3)19(16-9-5-4-6-10-16)23-20(25)17-11-7-13-24(15-17)21(26)18-12-8-14-27-18/h4-6,8-10,12,14,17,19H,7,11,13,15H2,1-3H3,(H,23,25)
InChIKeyVCQUIAIOHCERST-UHFFFAOYSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55804121
N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053338
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
N-[1-(4-bromophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42885431
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947169
N-[1-(4-cyanophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134035121
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55643259) is N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CC(C)(C)C(NC(=O)C1CCCN(C(=O)c2cccs2)C1)c1ccccc1.
What is the InChIKey of N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is VCQUIAIOHCERST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-22(2,3)19(16-9-5-4-6-10-16)23-20(25)17-11-7-13-24(15-17)21(26)18-12-8-14-27-18/h4-6,8-10,12,14,17,19H,7,11,13,15H2,1-3H3,(H,23,25).
What are the key properties of N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55643259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).