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

C25H26ClN3O2 — CID 46455742

IUPACN-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C25H26ClN3O2/c1-17-22(16-19-15-20(26)8-9-23(19)27-17)25(31)29-13-11-21(12-14-29)28-24(30)10-7-18-5-3-2-4-6-18/h2-6,8-9,15-16,21H,7,10-14H2,1H3,(H,28,30)
InChIKeyHVSZQTPEORWQGP-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.55
Rot. Bonds5

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

N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 46455742) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID46455742
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC NameN-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C25H26ClN3O2/c1-17-22(16-19-15-20(26)8-9-23(19)27-17)25(31)29-13-11-21(12-14-29)28-24(30)10-7-18-5-3-2-4-6-18/h2-6,8-9,15-16,21H,7,10-14H2,1H3,(H,28,30)
InChIKeyHVSZQTPEORWQGP-UHFFFAOYSA-N
XLogP4.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108556555
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455348
1-(6-chloro-2-methylquinoline-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808313
N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55874101
N-[1-(6-methoxy-2-methylquinoline-3-carbonyl)piperidin-4-yl]benzamide
CID 34424258
(6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 41337289
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556459
N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692508
N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 55706392

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide (CID 46455742) is N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide is Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is HVSZQTPEORWQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-17-22(16-19-15-20(26)8-9-23(19)27-17)25(31)29-13-11-21(12-14-29)28-24(30)10-7-18-5-3-2-4-6-18/h2-6,8-9,15-16,21H,7,10-14H2,1H3,(H,28,30).
What are the key properties of N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 435.96 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 46455742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).