N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide

C25H25N5OS — CID 138585140

IUPACN-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccn(-c2ccccn2)n1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H25N5OS/c31-25(22-9-6-18-32-22)30(24-13-17-29(27-24)23-10-4-5-14-26-23)21-11-15-28(16-12-21)19-20-7-2-1-3-8-20/h1-10,13-14,17-18,21H,11-12,15-16,19H2
InChIKeyHFXBOXCRKDTECC-UHFFFAOYSA-N
MW443.58 g/mol
LogP4.64
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide

N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 138585140) has the molecular formula C25H25N5OS and a molecular weight of 443.58 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID138585140
Molecular FormulaC25H25N5OS
Molecular Weight443.58 g/mol
Exact Mass443.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccn(-c2ccccn2)n1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H25N5OS/c31-25(22-9-6-18-32-22)30(24-13-17-29(27-24)23-10-4-5-14-26-23)21-11-15-28(16-12-21)19-20-7-2-1-3-8-20/h1-10,13-14,17-18,21H,11-12,15-16,19H2
InChIKeyHFXBOXCRKDTECC-UHFFFAOYSA-N
XLogP4.64
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide (CID 138585140) is N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide is O=C(c1cccs1)N(c1ccn(-c2ccccn2)n1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is HFXBOXCRKDTECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5OS/c31-25(22-9-6-18-32-22)30(24-13-17-29(27-24)23-10-4-5-14-26-23)21-11-15-28(16-12-21)19-20-7-2-1-3-8-20/h1-10,13-14,17-18,21H,11-12,15-16,19H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 443.58 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-(1-pyridin-2-ylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 138585140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).