N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide

C25H27N3O2 — CID 25288635

IUPACN-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(C(=O)c3ccc4ncccc4c3)CC2)c1
InChIInChI=1S/C25H27N3O2/c1-18-4-2-6-22(16-18)27-24(29)10-7-19-11-14-28(15-12-19)25(30)21-8-9-23-20(17-21)5-3-13-26-23/h2-6,8-9,13,16-17,19H,7,10-12,14-15H2,1H3,(H,27,29)
InChIKeyPUUOQUOZMPCRIF-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.81
Rot. Bonds5

About N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide

N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide (PubChem CID 25288635) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide
PubChem CID25288635
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(C(=O)c3ccc4ncccc4c3)CC2)c1
InChIInChI=1S/C25H27N3O2/c1-18-4-2-6-22(16-18)27-24(29)10-7-19-11-14-28(15-12-19)25(30)21-8-9-23-20(17-21)5-3-13-26-23/h2-6,8-9,13,16-17,19H,7,10-12,14-15H2,1H3,(H,27,29)
InChIKeyPUUOQUOZMPCRIF-UHFFFAOYSA-N
XLogP4.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one
CID 42531267
N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide
CID 25289024
3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
CID 91913383
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 119624681
N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
CID 72881305
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
3-[1-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
CID 97271131
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 110931885
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
CID 42519111
2-(cyclopropylmethylamino)-N-quinolin-6-ylacetamide
CID 62634785
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide (CID 25288635) is N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide is Cc1cccc(NC(=O)CCC2CCN(C(=O)c3ccc4ncccc4c3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is PUUOQUOZMPCRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-4-2-6-22(16-18)27-24(29)10-7-19-11-14-28(15-12-19)25(30)21-8-9-23-20(17-21)5-3-13-26-23/h2-6,8-9,13,16-17,19H,7,10-12,14-15H2,1H3,(H,27,29).
What are the key properties of N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide?
N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 401.51 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 25288635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).