propyl 4-(piperidin-4-ylamino)benzoate

C15H22N2O2 — CID 54902867

IUPACpropyl 4-(piperidin-4-ylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC2CCNCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-11-19-15(18)12-3-5-13(6-4-12)17-14-7-9-16-10-8-14/h3-6,14,16-17H,2,7-11H2,1H3
InChIKeyPEOMZCIVPSZGTN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.42
Rot. Bonds5

About propyl 4-(piperidin-4-ylamino)benzoate

propyl 4-(piperidin-4-ylamino)benzoate (PubChem CID 54902867) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is propyl 4-(piperidin-4-ylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-(piperidin-4-ylamino)benzoate
PubChem CID54902867
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namepropyl 4-(piperidin-4-ylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC2CCNCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-11-19-15(18)12-3-5-13(6-4-12)17-14-7-9-16-10-8-14/h3-6,14,16-17H,2,7-11H2,1H3
InChIKeyPEOMZCIVPSZGTN-UHFFFAOYSA-N
XLogP2.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propyl 4-(piperidin-4-ylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 4-[(2,4-dimethylcyclohexyl)amino]benzoate
CID 64761592
ethyl 4-(thian-4-ylamino)benzoate
CID 43511385
propyl 4-(cyclopropylsulfamoylamino)benzoate
CID 104516933
N-(4-ethylphenyl)piperidin-4-amine
CID 43829435
propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate
CID 79863937
propyl 4-(dicyclopropylmethylamino)benzoate
CID 43362907
ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43321731
ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
CID 22566555
ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate
CID 43774396
cis-(1S,2R)-2-[(4-propoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 23013499
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
propyl 4-hydroxybenzoate
CID 66683808

Frequently Asked Questions

What is the IUPAC name of propyl 4-(piperidin-4-ylamino)benzoate?
The IUPAC name of propyl 4-(piperidin-4-ylamino)benzoate (CID 54902867) is propyl 4-(piperidin-4-ylamino)benzoate.
What is the SMILES notation for propyl 4-(piperidin-4-ylamino)benzoate?
The canonical SMILES for propyl 4-(piperidin-4-ylamino)benzoate is CCCOC(=O)c1ccc(NC2CCNCC2)cc1.
What is the InChIKey of propyl 4-(piperidin-4-ylamino)benzoate?
The InChIKey is PEOMZCIVPSZGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-11-19-15(18)12-3-5-13(6-4-12)17-14-7-9-16-10-8-14/h3-6,14,16-17H,2,7-11H2,1H3.
What are the key properties of propyl 4-(piperidin-4-ylamino)benzoate?
propyl 4-(piperidin-4-ylamino)benzoate has a molecular weight of 262.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(piperidin-4-ylamino)benzoate is sourced from PubChem (CID 54902867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).