N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide

C18H20ClN3O2 — CID 99933106

IUPACN-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)c2cc(C)nc3ccc(Cl)cc23)C1
InChIInChI=1S/C18H20ClN3O2/c1-11-8-16(15-9-13(19)5-6-17(15)20-11)18(24)22-7-3-4-14(10-22)21-12(2)23/h5-6,8-9,14H,3-4,7,10H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyQDHHQTFLIXLEQS-AWEZNQCLSA-N
MW345.83 g/mol
LogP2.94
Rot. Bonds2

About N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide

N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide (PubChem CID 99933106) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
PubChem CID99933106
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)c2cc(C)nc3ccc(Cl)cc23)C1
InChIInChI=1S/C18H20ClN3O2/c1-11-8-16(15-9-13(19)5-6-17(15)20-11)18(24)22-7-3-4-14(10-22)21-12(2)23/h5-6,8-9,14H,3-4,7,10H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyQDHHQTFLIXLEQS-AWEZNQCLSA-N
XLogP2.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97138571
(6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72911039
(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
CID 82449120
N-[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidin-3-yl]acetamide
CID 78892030
(7-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575462
N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 62234754
(6-chloro-2-methylquinolin-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 70742167
[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
CID 124593306
[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 119595298
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
[(2R)-2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 97433787
[2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 72838827

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide (CID 99933106) is N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(C(=O)c2cc(C)nc3ccc(Cl)cc23)C1.
What is the InChIKey of N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is QDHHQTFLIXLEQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-11-8-16(15-9-13(19)5-6-17(15)20-11)18(24)22-7-3-4-14(10-22)21-12(2)23/h5-6,8-9,14H,3-4,7,10H2,1-2H3,(H,21,23)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide?
N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 345.83 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 99933106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).