1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C22H31N5OS — CID 25275405

IUPAC1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ncc(CN2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)s1
InChIInChI=1S/C22H31N5OS/c1-17-24-15-21(29-17)16-26-10-7-20(8-11-26)27-12-5-18(6-13-27)22(28)25-14-19-4-2-3-9-23-19/h2-4,9,15,18,20H,5-8,10-14,16H2,1H3,(H,25,28)
InChIKeyFHGHEHWYINTAKQ-UHFFFAOYSA-N
MW413.59 g/mol
LogP2.84
Rot. Bonds6

About 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 25275405) has the molecular formula C22H31N5OS and a molecular weight of 413.59 g/mol. Its IUPAC name is 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID25275405
Molecular FormulaC22H31N5OS
Molecular Weight413.59 g/mol
Exact Mass413.22
IUPAC Name1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ncc(CN2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)s1
InChIInChI=1S/C22H31N5OS/c1-17-24-15-21(29-17)16-26-10-7-20(8-11-26)27-12-5-18(6-13-27)22(28)25-14-19-4-2-3-9-23-19/h2-4,9,15,18,20H,5-8,10-14,16H2,1H3,(H,25,28)
InChIKeyFHGHEHWYINTAKQ-UHFFFAOYSA-N
XLogP2.84
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 25275405) is 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is Cc1ncc(CN2CCC(N3CCC(C(=O)NCc4ccccn4)CC3)CC2)s1.
What is the InChIKey of 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FHGHEHWYINTAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5OS/c1-17-24-15-21(29-17)16-26-10-7-20(8-11-26)27-12-5-18(6-13-27)22(28)25-14-19-4-2-3-9-23-19/h2-4,9,15,18,20H,5-8,10-14,16H2,1H3,(H,25,28).
What are the key properties of 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 413.59 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 25275405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).