N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide

C20H27N3OS — CID 119681420

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCc1csc(-c2ccccc2)n1)C1CCNCC1
InChIInChI=1S/C20H27N3OS/c1-15(16-7-10-21-11-8-16)13-19(24)22-12-9-18-14-25-20(23-18)17-5-3-2-4-6-17/h2-6,14-16,21H,7-13H2,1H3,(H,22,24)
InChIKeyJXROMDYJFVZQRJ-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.49
Rot. Bonds7

About N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119681420) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119681420
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCc1csc(-c2ccccc2)n1)C1CCNCC1
InChIInChI=1S/C20H27N3OS/c1-15(16-7-10-21-11-8-16)13-19(24)22-12-9-18-14-25-20(23-18)17-5-3-2-4-6-17/h2-6,14-16,21H,7-13H2,1H3,(H,22,24)
InChIKeyJXROMDYJFVZQRJ-UHFFFAOYSA-N
XLogP3.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119813700
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97030329
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide (CID 119681420) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCCc1csc(-c2ccccc2)n1)C1CCNCC1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is JXROMDYJFVZQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-15(16-7-10-21-11-8-16)13-19(24)22-12-9-18-14-25-20(23-18)17-5-3-2-4-6-17/h2-6,14-16,21H,7-13H2,1H3,(H,22,24).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 357.52 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119681420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).