N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C15H19N3OS — CID 119390366

IUPACN-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NC1CCNCC1)c1cccn1Cc1cccs1
InChIInChI=1S/C15H19N3OS/c19-15(17-12-5-7-16-8-6-12)14-4-1-9-18(14)11-13-3-2-10-20-13/h1-4,9-10,12,16H,5-8,11H2,(H,17,19)
InChIKeyKEQAMMOAUCFSFZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.08
Rot. Bonds4

About N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 119390366) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID119390366
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NC1CCNCC1)c1cccn1Cc1cccs1
InChIInChI=1S/C15H19N3OS/c19-15(17-12-5-7-16-8-6-12)14-4-1-9-18(14)11-13-3-2-10-20-13/h1-4,9-10,12,16H,5-8,11H2,(H,17,19)
InChIKeyKEQAMMOAUCFSFZ-UHFFFAOYSA-N
XLogP2.08
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrrolidin-3-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119454255
N-(2-oxopiperidin-3-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 71935632
N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119449181
N-(2-piperazin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119449180
1-(thiophen-2-ylmethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide
CID 55959614
N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953
N-(2-amino-1-cyclopropylethyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119617728
N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55930290
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 96563172
3-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 119221189
N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119499620
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 136518742

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 119390366) is N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is O=C(NC1CCNCC1)c1cccn1Cc1cccs1.
What is the InChIKey of N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is KEQAMMOAUCFSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-15(17-12-5-7-16-8-6-12)14-4-1-9-18(14)11-13-3-2-10-20-13/h1-4,9-10,12,16H,5-8,11H2,(H,17,19).
What are the key properties of N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 119390366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).