1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C21H22N4OS — CID 90518968

IUPAC1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C21H22N4OS/c26-21(22-14-18-7-4-12-27-18)17-8-10-25(11-9-17)20-13-19(23-15-24-20)16-5-2-1-3-6-16/h1-7,12-13,15,17H,8-11,14H2,(H,22,26)
InChIKeyGJWPIPRWGHGSOO-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.74
Rot. Bonds5

About 1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 90518968) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID90518968
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C21H22N4OS/c26-21(22-14-18-7-4-12-27-18)17-8-10-25(11-9-17)20-13-19(23-15-24-20)16-5-2-1-3-6-16/h1-7,12-13,15,17H,8-11,14H2,(H,22,26)
InChIKeyGJWPIPRWGHGSOO-UHFFFAOYSA-N
XLogP3.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-phenylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 30360575
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 90519014
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 56764920
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
N-[(4-methylsulfanylphenyl)methyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062037
1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 53062051
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 53062035
1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133304116
N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519003

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 90518968) is 1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccs1)C1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of 1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is GJWPIPRWGHGSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-21(22-14-18-7-4-12-27-18)17-8-10-25(11-9-17)20-13-19(23-15-24-20)16-5-2-1-3-6-16/h1-7,12-13,15,17H,8-11,14H2,(H,22,26).
What are the key properties of 1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 90518968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).