(3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide

C18H21N3O2S — CID 95160498

IUPAC(3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)[C@@H]3CCC(=O)NC3)cc2)cs1
InChIInChI=1S/C18H21N3O2S/c1-12-21-16(11-24-12)14-4-2-13(3-5-14)8-9-19-18(23)15-6-7-17(22)20-10-15/h2-5,11,15H,6-10H2,1H3,(H,19,23)(H,20,22)/t15-/m1/s1
InChIKeyDJQCCPYKYQFSQZ-OAHLLOKOSA-N
MW343.45 g/mol
LogP2.30
Rot. Bonds5

About (3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide

(3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 95160498) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID95160498
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)[C@@H]3CCC(=O)NC3)cc2)cs1
InChIInChI=1S/C18H21N3O2S/c1-12-21-16(11-24-12)14-4-2-13(3-5-14)8-9-19-18(23)15-6-7-17(22)20-10-15/h2-5,11,15H,6-10H2,1H3,(H,19,23)(H,20,22)/t15-/m1/s1
InChIKeyDJQCCPYKYQFSQZ-OAHLLOKOSA-N
XLogP2.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672380
1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108809814
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119837229
4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17446212
1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 46632803
(3S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 97063717
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869918
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
3-cyclohexyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 16568181
(3R)-6-oxo-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperidine-3-carboxamide
CID 95286558
N-[2-(4-aminophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 81478476
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide (CID 95160498) is (3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide is Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CCC(=O)NC3)cc2)cs1.
What is the InChIKey of (3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is DJQCCPYKYQFSQZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-21-16(11-24-12)14-4-2-13(3-5-14)8-9-19-18(23)15-6-7-17(22)20-10-15/h2-5,11,15H,6-10H2,1H3,(H,19,23)(H,20,22)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide?
(3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 95160498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).