N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide

C24H25N3O3 — CID 112804091

IUPACN-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3ccnc4ccccc34)CC2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-30-19-9-7-17(8-10-19)24(29)27-15-12-18(13-16-27)26-23(28)21-11-14-25-22-6-4-3-5-20(21)22/h3-11,14,18H,2,12-13,15-16H2,1H3,(H,26,28)
InChIKeyLKPJVUNBSKZFHP-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.67
Rot. Bonds5

About N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide (PubChem CID 112804091) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide
PubChem CID112804091
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3ccnc4ccccc34)CC2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-30-19-9-7-17(8-10-19)24(29)27-15-12-18(13-16-27)26-23(28)21-11-14-25-22-6-4-3-5-20(21)22/h3-11,14,18H,2,12-13,15-16H2,1H3,(H,26,28)
InChIKeyLKPJVUNBSKZFHP-UHFFFAOYSA-N
XLogP3.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
CID 112804628
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
CID 112838966
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554067
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 112804151
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
CID 112804050
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide?
The IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide (CID 112804091) is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide?
The canonical SMILES for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide is CCOc1ccc(C(=O)N2CCC(NC(=O)c3ccnc4ccccc34)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide?
The InChIKey is LKPJVUNBSKZFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-30-19-9-7-17(8-10-19)24(29)27-15-12-18(13-16-27)26-23(28)21-11-14-25-22-6-4-3-5-20(21)22/h3-11,14,18H,2,12-13,15-16H2,1H3,(H,26,28).
What are the key properties of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide?
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 112804091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).