1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide

C21H22N4OS — CID 42517113

IUPAC1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C21H22N4OS/c26-21(24-19-3-1-2-18(12-19)20-14-27-15-23-20)17-6-10-25(11-7-17)13-16-4-8-22-9-5-16/h1-5,8-9,12,14-15,17H,6-7,10-11,13H2,(H,24,26)
InChIKeyUGFIGNVFUMRCJG-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.06
Rot. Bonds5

About 1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide

1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 42517113) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
PubChem CID42517113
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C21H22N4OS/c26-21(24-19-3-1-2-18(12-19)20-14-27-15-23-20)17-6-10-25(11-7-17)13-16-4-8-22-9-5-16/h1-5,8-9,12,14-15,17H,6-7,10-11,13H2,(H,24,26)
InChIKeyUGFIGNVFUMRCJG-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 26393007
1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 42528190
N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 25289485
(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 26315659
1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 43919037
1-[(3-acetylphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 70757490
N-(2-carbamoylphenyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 54373800
1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 125174576
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 72847558
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
(3S)-1-[(3-methoxyphenyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 42213030

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (CID 42517113) is 1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is UGFIGNVFUMRCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-21(24-19-3-1-2-18(12-19)20-14-27-15-23-20)17-6-10-25(11-7-17)13-16-4-8-22-9-5-16/h1-5,8-9,12,14-15,17H,6-7,10-11,13H2,(H,24,26).
What are the key properties of 1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?
1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 42517113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).