N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide

C19H28N2O2S — CID 113005435

IUPACN-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H28N2O2S/c22-18(14-17-8-5-13-24-17)21-11-9-15(10-12-21)19(23)20-16-6-3-1-2-4-7-16/h5,8,13,15-16H,1-4,6-7,9-12,14H2,(H,20,23)
InChIKeyKWYSCRZAMACYAN-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.37
Rot. Bonds4

About N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide

N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (PubChem CID 113005435) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
PubChem CID113005435
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H28N2O2S/c22-18(14-17-8-5-13-24-17)21-11-9-15(10-12-21)19(23)20-16-6-3-1-2-4-7-16/h5,8,13,15-16H,1-4,6-7,9-12,14H2,(H,20,23)
InChIKeyKWYSCRZAMACYAN-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110822076
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 94917211
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
1-phenyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 86834875
2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083187
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (CID 113005435) is N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The InChIKey is KWYSCRZAMACYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-18(14-17-8-5-13-24-17)21-11-9-15(10-12-21)19(23)20-16-6-3-1-2-4-7-16/h5,8,13,15-16H,1-4,6-7,9-12,14H2,(H,20,23).
What are the key properties of N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 113005435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).