1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C15H18N4OS — CID 646908

IUPAC1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H18N4OS/c20-14(18-10-13-5-2-9-21-13)12-4-1-8-19(11-12)15-16-6-3-7-17-15/h2-3,5-7,9,12H,1,4,8,10-11H2,(H,18,20)
InChIKeySSEXVMPWWXHULR-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.07
Rot. Bonds4

About 1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 646908) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID646908
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H18N4OS/c20-14(18-10-13-5-2-9-21-13)12-4-1-8-19(11-12)15-16-6-3-7-17-15/h2-3,5-7,9,12H,1,4,8,10-11H2,(H,18,20)
InChIKeySSEXVMPWWXHULR-UHFFFAOYSA-N
XLogP2.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-pyrimidin-2-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

N-[2-(3-pyridinyl)-4-pyrimidinyl]-2-thiophenecarboxamide
CID 1477562
4-Pyrimidin-2-ylpiperazinyl 2-thienyl ketone
CID 727062
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 645574
4-Methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 646387
3-Methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 646464
3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 653187
2-{4-[(5-Methyl-3-thienyl)carbonyl]-1-piperazinyl}pyrimidine
CID 1246450
5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2431997
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2434569
2-Piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233205
2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2379608
(3-Methylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17398754

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 646908) is 1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccs1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is SSEXVMPWWXHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-14(18-10-13-5-2-9-21-13)12-4-1-8-19(11-12)15-16-6-3-7-17-15/h2-3,5-7,9,12H,1,4,8,10-11H2,(H,18,20).
What are the key properties of 1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 646908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).