N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide

C30H37N3O2 — CID 10195487

IUPACN-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(C(=O)NC5CCCC5)c4)CC3)cccc2n1
InChIInChI=1S/C30H37N3O2/c1-22-12-13-27-28(31-22)10-5-11-29(27)35-19-18-33-16-14-23(15-17-33)20-24-6-4-7-25(21-24)30(34)32-26-8-2-3-9-26/h4-7,10-13,21,23,26H,2-3,8-9,14-20H2,1H3,(H,32,34)
InChIKeyVSTIFXOWQXCXBA-UHFFFAOYSA-N
MW471.65 g/mol
LogP5.55
Rot. Bonds8

About N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide

N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide (PubChem CID 10195487) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide
PubChem CID10195487
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC NameN-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(C(=O)NC5CCCC5)c4)CC3)cccc2n1
InChIInChI=1S/C30H37N3O2/c1-22-12-13-27-28(31-22)10-5-11-29(27)35-19-18-33-16-14-23(15-17-33)20-24-6-4-7-25(21-24)30(34)32-26-8-2-3-9-26/h4-7,10-13,21,23,26H,2-3,8-9,14-20H2,1H3,(H,32,34)
InChIKeyVSTIFXOWQXCXBA-UHFFFAOYSA-N
XLogP5.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 69353335
2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 10127673
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]methanesulfonamide
CID 24865725
2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
CID 85335370
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide
CID 90877133
1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 47079917
N-cyclohexyl-2-methylquinoline-5-carboxamide
CID 143116109
N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 69353213
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
CID 33104635
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide (CID 10195487) is N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide is Cc1ccc2c(OCCN3CCC(Cc4cccc(C(=O)NC5CCCC5)c4)CC3)cccc2n1.
What is the InChIKey of N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is VSTIFXOWQXCXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-22-12-13-27-28(31-22)10-5-11-29(27)35-19-18-33-16-14-23(15-17-33)20-24-6-4-7-25(21-24)30(34)32-26-8-2-3-9-26/h4-7,10-13,21,23,26H,2-3,8-9,14-20H2,1H3,(H,32,34).
What are the key properties of N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide?
N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 471.65 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 10195487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).