(3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C19H22ClN3O2S — CID 42362724

IUPAC(3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1csc(CN(C)C(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H22ClN3O2S/c1-13-12-26-17(21-13)11-22(2)19(25)15-5-8-18(24)23(10-15)9-14-3-6-16(20)7-4-14/h3-4,6-7,12,15H,5,8-11H2,1-2H3/t15-/m0/s1
InChIKeyUDHCCNQOHXBVOE-HNNXBMFYSA-N
MW391.92 g/mol
LogP3.50
Rot. Bonds5

About (3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide

(3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 42362724) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is (3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID42362724
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name(3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1csc(CN(C)C(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H22ClN3O2S/c1-13-12-26-17(21-13)11-22(2)19(25)15-5-8-18(24)23(10-15)9-14-3-6-16(20)7-4-14/h3-4,6-7,12,15H,5,8-11H2,1-2H3/t15-/m0/s1
InChIKeyUDHCCNQOHXBVOE-HNNXBMFYSA-N
XLogP3.50
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(4-chlorophenyl)methyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42244089
(3S)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97191464
(3R)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97191463
(3S)-1-[2-(4-chlorophenyl)ethyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 95188778
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 72873492
(3S)-1-[2-(4-chlorophenyl)ethyl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42215343
1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45234331
1-[(4-chlorophenyl)methyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 24790872
1-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 55049168
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]azepane-4-carboxamide;hydrochloride
CID 154922617
ethyl 4-[(3S)-1-[(4-chlorophenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazine-1-carboxylate
CID 42394382
(3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42098510

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 42362724) is (3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1csc(CN(C)C(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1.
What is the InChIKey of (3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is UDHCCNQOHXBVOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-13-12-26-17(21-13)11-22(2)19(25)15-5-8-18(24)23(10-15)9-14-3-6-16(20)7-4-14/h3-4,6-7,12,15H,5,8-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
(3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42362724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).