1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one

C20H26N4O — CID 120844613

IUPAC1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one
SMILESCc1ccc2cc(CN3CCCC(N4CCNCC4=O)C3)ccc2n1
InChIInChI=1S/C20H26N4O/c1-15-4-6-17-11-16(5-7-19(17)22-15)13-23-9-2-3-18(14-23)24-10-8-21-12-20(24)25/h4-7,11,18,21H,2-3,8-10,12-14H2,1H3
InChIKeyNYTSBXDNZKUJPQ-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.94
Rot. Bonds3

About 1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one

1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one (PubChem CID 120844613) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one
PubChem CID120844613
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one
SMILESCc1ccc2cc(CN3CCCC(N4CCNCC4=O)C3)ccc2n1
InChIInChI=1S/C20H26N4O/c1-15-4-6-17-11-16(5-7-19(17)22-15)13-23-9-2-3-18(14-23)24-10-8-21-12-20(24)25/h4-7,11,18,21H,2-3,8-10,12-14H2,1H3
InChIKeyNYTSBXDNZKUJPQ-UHFFFAOYSA-N
XLogP1.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one (CID 120844613) is 1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one is Cc1ccc2cc(CN3CCCC(N4CCNCC4=O)C3)ccc2n1.
What is the InChIKey of 1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one?
The InChIKey is NYTSBXDNZKUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-4-6-17-11-16(5-7-19(17)22-15)13-23-9-2-3-18(14-23)24-10-8-21-12-20(24)25/h4-7,11,18,21H,2-3,8-10,12-14H2,1H3.
What are the key properties of 1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one?
1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one has a molecular weight of 338.46 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 120844613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).