(3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C18H20N6OS — CID 95369261

IUPAC(3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C18H20N6OS/c25-18(19-11-15-5-2-9-26-15)14-4-1-7-23(12-14)16-10-17(21-13-20-16)24-8-3-6-22-24/h2-3,5-6,8-10,13-14H,1,4,7,11-12H2,(H,19,25)/t14-/m1/s1
InChIKeyWRXINCCFDOJFGG-CQSZACIVSA-N
MW368.47 g/mol
LogP2.26
Rot. Bonds5

About (3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 95369261) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is (3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID95369261
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name(3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C18H20N6OS/c25-18(19-11-15-5-2-9-26-15)14-4-1-7-23(12-14)16-10-17(21-13-20-16)24-8-3-6-22-24/h2-3,5-6,8-10,13-14H,1,4,7,11-12H2,(H,19,25)/t14-/m1/s1
InChIKeyWRXINCCFDOJFGG-CQSZACIVSA-N
XLogP2.26
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90520568
N-[(2-fluorophenyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56764965
(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369281
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-4-ylpiperidine-3-carboxamide
CID 90520525
N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520662
(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 52907681
(3S)-1-(6-chloropyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51983817
(3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 97416422
N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520628
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 56764920
(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 52907602
1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 53203951

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 95369261) is (3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccs1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1.
What is the InChIKey of (3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is WRXINCCFDOJFGG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-18(19-11-15-5-2-9-26-15)14-4-1-7-23(12-14)16-10-17(21-13-20-16)24-8-3-6-22-24/h2-3,5-6,8-10,13-14H,1,4,7,11-12H2,(H,19,25)/t14-/m1/s1.
What are the key properties of (3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
(3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95369261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).