4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid

C24H30N2O4 — CID 12919509

IUPAC4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid
SMILESCCCOc1ccc(N2CCCCC2)c(C(=O)NCCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C24H30N2O4/c1-2-16-30-20-10-11-22(26-14-4-3-5-15-26)21(17-20)23(27)25-13-12-18-6-8-19(9-7-18)24(28)29/h6-11,17H,2-5,12-16H2,1H3,(H,25,27)(H,28,29)
InChIKeyFUBIKGUSLBNRPK-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.14
Rot. Bonds9

About 4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid

4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid (PubChem CID 12919509) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid
PubChem CID12919509
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid
SMILESCCCOc1ccc(N2CCCCC2)c(C(=O)NCCc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C24H30N2O4/c1-2-16-30-20-10-11-22(26-14-4-3-5-15-26)21(17-20)23(27)25-13-12-18-6-8-19(9-7-18)24(28)29/h6-11,17H,2-5,12-16H2,1H3,(H,25,27)(H,28,29)
InChIKeyFUBIKGUSLBNRPK-UHFFFAOYSA-N
XLogP4.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[2-[[5-chloro-2-(4-ethoxycarbonylpiperazin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 70535745
N-(3-methoxypropyl)-5-[(4-pentylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 4043686
2-(azonan-1-yl)-5-chloro-N-[2-(4-methylphenyl)ethyl]benzamide;hydrochloride
CID 70532427
4-[2-[[5-chloro-2-(4-methoxypiperidin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 70535625
5-[(4-butylbenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42757211
5-[(4-butoxybenzoyl)amino]-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 3612260
5-(3,3-dimethylbutanoylamino)-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 1066073
4-[2-[[5-chloro-2-(3,5-dimethylpiperidin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 12919525
4-[2-[[2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-5-bromobenzoyl]amino]ethyl]benzoic acid
CID 13078643
5-[(4-ethylbenzoyl)amino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5135806
5-[(3-ethylphenyl)carbamoylamino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 1067045
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid (CID 12919509) is 4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid is CCCOc1ccc(N2CCCCC2)c(C(=O)NCCc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid?
The InChIKey is FUBIKGUSLBNRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-2-16-30-20-10-11-22(26-14-4-3-5-15-26)21(17-20)23(27)25-13-12-18-6-8-19(9-7-18)24(28)29/h6-11,17H,2-5,12-16H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid?
4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid has a molecular weight of 410.51 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-piperidin-1-yl-5-propoxybenzoyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 12919509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).