N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide

C16H19N3O2S — CID 126783823

IUPACN-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C16H19N3O2S/c1-11-14(2-6-17-11)16(21)19-7-3-13(4-8-19)18-15(20)12-5-9-22-10-12/h2,5-6,9-10,13,17H,3-4,7-8H2,1H3,(H,18,20)
InChIKeyUACUNEQIAPJIIT-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.42
Rot. Bonds3

About N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 126783823) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID126783823
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C16H19N3O2S/c1-11-14(2-6-17-11)16(21)19-7-3-13(4-8-19)18-15(20)12-5-9-22-10-12/h2,5-6,9-10,13,17H,3-4,7-8H2,1H3,(H,18,20)
InChIKeyUACUNEQIAPJIIT-UHFFFAOYSA-N
XLogP2.42
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 51092675
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182545
N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578200
(4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119376460
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119625004
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752077
N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578028
2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide
CID 47713489
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide (CID 126783823) is N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide is Cc1[nH]ccc1C(=O)N1CCC(NC(=O)c2ccsc2)CC1.
What is the InChIKey of N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is UACUNEQIAPJIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-14(2-6-17-11)16(21)19-7-3-13(4-8-19)18-15(20)12-5-9-22-10-12/h2,5-6,9-10,13,17H,3-4,7-8H2,1H3,(H,18,20).
What are the key properties of N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 126783823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).