3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide

C19H23N3OS — CID 136579366

IUPAC3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)c1sccc1C1CC1
InChIInChI=1S/C19H23N3OS/c23-19(18-17(7-12-24-18)15-1-2-15)21-16-5-10-22(11-6-16)13-14-3-8-20-9-4-14/h3-4,7-9,12,15-16H,1-2,5-6,10-11,13H2,(H,21,23)
InChIKeySPILJOKYPABUNY-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.41
Rot. Bonds5

About 3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide

3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 136579366) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID136579366
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)c1sccc1C1CC1
InChIInChI=1S/C19H23N3OS/c23-19(18-17(7-12-24-18)15-1-2-15)21-16-5-10-22(11-6-16)13-14-3-8-20-9-4-14/h3-4,7-9,12,15-16H,1-2,5-6,10-11,13H2,(H,21,23)
InChIKeySPILJOKYPABUNY-UHFFFAOYSA-N
XLogP3.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 138034135
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide
CID 70778180
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
CID 119848192
2-methoxy-2-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 136524347
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202
1-(3-phenylpropyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47065812
N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide
CID 30768194

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (CID 136579366) is 3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(Cc2ccncc2)CC1)c1sccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is SPILJOKYPABUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c23-19(18-17(7-12-24-18)15-1-2-15)21-16-5-10-22(11-6-16)13-14-3-8-20-9-4-14/h3-4,7-9,12,15-16H,1-2,5-6,10-11,13H2,(H,21,23).
What are the key properties of 3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 136579366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).