N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide

C16H18ClN3O — CID 49431104

IUPACN-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C16H18ClN3O/c1-11(21)19-13-5-8-20(9-6-13)16-4-7-18-15-10-12(17)2-3-14(15)16/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,19,21)
InChIKeyYSQLXIXCYTVADH-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.99
Rot. Bonds2

About N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide

N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide (PubChem CID 49431104) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
PubChem CID49431104
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C16H18ClN3O/c1-11(21)19-13-5-8-20(9-6-13)16-4-7-18-15-10-12(17)2-3-14(15)16/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,19,21)
InChIKeyYSQLXIXCYTVADH-UHFFFAOYSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 24830996
2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 24830997
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide
CID 24830372
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-4-methylbenzamide;2,4,6-trichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]benzamide
CID 159324609
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide
CID 24830844
1-(3-bromophenyl)-3-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-1-sulfanylurea
CID 87695026
1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356339
N-[1-[4-chloro-2-(methylaminomethyl)phenyl]piperidin-4-yl]acetamide
CID 114853385
(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol
CID 155498947
7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline
CID 133301044
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide (CID 49431104) is N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2ccnc3cc(Cl)ccc23)CC1.
What is the InChIKey of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is YSQLXIXCYTVADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(21)19-13-5-8-20(9-6-13)16-4-7-18-15-10-12(17)2-3-14(15)16/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,19,21).
What are the key properties of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide?
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 303.79 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 49431104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).