N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide

C36H41N5O2 — CID 73388766

IUPACN-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide
SMILESO=C(CCC(=O)NC1CCN(Cc2ccccc2)CC1)Nc1ccc2nc(N3CCC(c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C36H41N5O2/c42-35(37-31-19-21-40(22-20-31)26-27-7-3-1-4-8-27)15-16-36(43)38-32-12-13-33-30(25-32)11-14-34(39-33)41-23-17-29(18-24-41)28-9-5-2-6-10-28/h1-14,25,29,31H,15-24,26H2,(H,37,42)(H,38,43)
InChIKeyFSSPKUYUIZQCFO-UHFFFAOYSA-N
MW575.76 g/mol
LogP6.12
Rot. Bonds9

About N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide

N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide (PubChem CID 73388766) has the molecular formula C36H41N5O2 and a molecular weight of 575.76 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide
PubChem CID73388766
Molecular FormulaC36H41N5O2
Molecular Weight575.76 g/mol
Exact Mass575.33
IUPAC NameN-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide
SMILESO=C(CCC(=O)NC1CCN(Cc2ccccc2)CC1)Nc1ccc2nc(N3CCC(c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C36H41N5O2/c42-35(37-31-19-21-40(22-20-31)26-27-7-3-1-4-8-27)15-16-36(43)38-32-12-13-33-30(25-32)11-14-34(39-33)41-23-17-29(18-24-41)28-9-5-2-6-10-28/h1-14,25,29,31H,15-24,26H2,(H,37,42)(H,38,43)
InChIKeyFSSPKUYUIZQCFO-UHFFFAOYSA-N
XLogP6.12
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.76
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide with MolForge

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Related Compounds

2-(4-phenylpiperidin-1-yl)quinolin-6-amine
CID 90005473
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide
CID 22340375
2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide
CID 73389427
N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117086991
N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide
CID 73388851
N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 53161284
1-(1-benzylpiperidin-4-yl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
CID 45489314
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 39754999
N-(1-benzylpiperidin-4-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188806
N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide
CID 42700182

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide (CID 73388766) is N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide is O=C(CCC(=O)NC1CCN(Cc2ccccc2)CC1)Nc1ccc2nc(N3CCC(c4ccccc4)CC3)ccc2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide?
The InChIKey is FSSPKUYUIZQCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N5O2/c42-35(37-31-19-21-40(22-20-31)26-27-7-3-1-4-8-27)15-16-36(43)38-32-12-13-33-30(25-32)11-14-34(39-33)41-23-17-29(18-24-41)28-9-5-2-6-10-28/h1-14,25,29,31H,15-24,26H2,(H,37,42)(H,38,43).
What are the key properties of N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide?
N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide has a molecular weight of 575.76 g/mol, XLogP of 6.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide is sourced from PubChem (CID 73388766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).