N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide

C20H23N3O2S — CID 46156012

IUPACN-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NC2CC2)CC1)c1cccs1
InChIInChI=1S/C20H23N3O2S/c24-19(21-14-7-8-14)16-4-1-2-5-17(16)23-11-9-15(10-12-23)22-20(25)18-6-3-13-26-18/h1-6,13-15H,7-12H2,(H,21,24)(H,22,25)
InChIKeyISXRUMMLDSPJNK-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.04
Rot. Bonds5

About N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 46156012) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID46156012
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NC2CC2)CC1)c1cccs1
InChIInChI=1S/C20H23N3O2S/c24-19(21-14-7-8-14)16-4-1-2-5-17(16)23-11-9-15(10-12-23)22-20(25)18-6-3-13-26-18/h1-6,13-15H,7-12H2,(H,21,24)(H,22,25)
InChIKeyISXRUMMLDSPJNK-UHFFFAOYSA-N
XLogP3.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46037540
N-[1-[2-(prop-2-enylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156126
N-cyclopropyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 46156025
N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46037924
N-[1-[2-[[(2S)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324323
N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324114
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
2-(4-aminopiperidin-1-yl)-N-cyclopropylbenzamide
CID 42656462
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
N-(1-phenylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 110461992
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 126851164

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide (CID 46156012) is N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(c2ccccc2C(=O)NC2CC2)CC1)c1cccs1.
What is the InChIKey of N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is ISXRUMMLDSPJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19(21-14-7-8-14)16-4-1-2-5-17(16)23-11-9-15(10-12-23)22-20(25)18-6-3-13-26-18/h1-6,13-15H,7-12H2,(H,21,24)(H,22,25).
What are the key properties of N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46156012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).