1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide

C18H26N2O2S — CID 99836689

IUPAC1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)c1ccsc1NC(=O)C1CCN(C2CC2)CC1
InChIInChI=1S/C18H26N2O2S/c1-18(2,3)15(21)14-8-11-23-17(14)19-16(22)12-6-9-20(10-7-12)13-4-5-13/h8,11-13H,4-7,9-10H2,1-3H3,(H,19,22)
InChIKeyMJTKXFKSWPCSHF-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.79
Rot. Bonds4

About 1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide

1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide (PubChem CID 99836689) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide
PubChem CID99836689
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)c1ccsc1NC(=O)C1CCN(C2CC2)CC1
InChIInChI=1S/C18H26N2O2S/c1-18(2,3)15(21)14-8-11-23-17(14)19-16(22)12-6-9-20(10-7-12)13-4-5-13/h8,11-13H,4-7,9-10H2,1-3H3,(H,19,22)
InChIKeyMJTKXFKSWPCSHF-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide
CID 71999399
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057
N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide
CID 102292587
methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate
CID 55876814
1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 167847958
methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate
CID 55876832
N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71875396
1-cyclopropyl-N-(2,5-difluoro-4-methoxyphenyl)piperidine-4-carboxamide
CID 126772611
N-[2-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]thiophen-3-yl]acetamide
CID 66387368
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
1-(1-acetylpiperidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 42881192
4-hydroxy-N-(3-methylthiophen-2-yl)cyclohexane-1-carboxamide
CID 115150767

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide (CID 99836689) is 1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide is CC(C)(C)C(=O)c1ccsc1NC(=O)C1CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide?
The InChIKey is MJTKXFKSWPCSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-18(2,3)15(21)14-8-11-23-17(14)19-16(22)12-6-9-20(10-7-12)13-4-5-13/h8,11-13H,4-7,9-10H2,1-3H3,(H,19,22).
What are the key properties of 1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide?
1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 99836689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).