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

C23H32N4OS — CID 70753919

IUPACN-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(C2CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C23H32N4OS/c28-23(25-11-8-19-5-2-1-3-6-19)20-7-4-13-27(17-20)21-9-14-26(15-10-21)18-22-24-12-16-29-22/h1-3,5-6,12,16,20-21H,4,7-11,13-15,17-18H2,(H,25,28)
InChIKeyYGWCALAKJZTGTP-UHFFFAOYSA-N
MW412.60 g/mol
LogP3.18
Rot. Bonds7

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

N-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 70753919) has the molecular formula C23H32N4OS and a molecular weight of 412.60 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID70753919
Molecular FormulaC23H32N4OS
Molecular Weight412.60 g/mol
Exact Mass412.23
IUPAC NameN-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(C2CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C23H32N4OS/c28-23(25-11-8-19-5-2-1-3-6-19)20-7-4-13-27(17-20)21-9-14-26(15-10-21)18-22-24-12-16-29-22/h1-3,5-6,12,16,20-21H,4,7-11,13-15,17-18H2,(H,25,28)
InChIKeyYGWCALAKJZTGTP-UHFFFAOYSA-N
XLogP3.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 70753919) is N-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NCCc1ccccc1)C1CCCN(C2CCN(Cc3nccs3)CC2)C1.
What is the InChIKey of N-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is YGWCALAKJZTGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4OS/c28-23(25-11-8-19-5-2-1-3-6-19)20-7-4-13-27(17-20)21-9-14-26(15-10-21)18-22-24-12-16-29-22/h1-3,5-6,12,16,20-21H,4,7-11,13-15,17-18H2,(H,25,28).
What are the key properties of N-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
N-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 412.60 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 70753919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).