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

C20H25N3O2S — CID 46037540

IUPACN-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCCCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccs2)CC1
InChIInChI=1S/C20H25N3O2S/c1-2-11-21-19(24)16-6-3-4-7-17(16)23-12-9-15(10-13-23)22-20(25)18-8-5-14-26-18/h3-8,14-15H,2,9-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyNHQXRTDDHAWTSM-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.29
Rot. Bonds6

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

N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 46037540) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID46037540
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESCCCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccs2)CC1
InChIInChI=1S/C20H25N3O2S/c1-2-11-21-19(24)16-6-3-4-7-17(16)23-12-9-15(10-13-23)22-20(25)18-8-5-14-26-18/h3-8,14-15H,2,9-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyNHQXRTDDHAWTSM-UHFFFAOYSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156012
N-[1-[2-[[(2S)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324323
N-[1-[2-(prop-2-enylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156126
N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46037924
N-[1-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324114
N-cyclopropyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 46156025
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 42848173
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
N-(1-phenylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 110461992
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide (CID 46037540) is N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide is CCCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is NHQXRTDDHAWTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-2-11-21-19(24)16-6-3-4-7-17(16)23-12-9-15(10-13-23)22-20(25)18-8-5-14-26-18/h3-8,14-15H,2,9-13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46037540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).