propyl 4-(piperidine-1-carbonylamino)benzoate

C16H22N2O3 — CID 79156721

IUPACpropyl 4-(piperidine-1-carbonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-12-21-15(19)13-6-8-14(9-7-13)17-16(20)18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,20)
InChIKeyJCVOTNVGVHQTRK-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.27
Rot. Bonds4

About propyl 4-(piperidine-1-carbonylamino)benzoate

propyl 4-(piperidine-1-carbonylamino)benzoate (PubChem CID 79156721) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is propyl 4-(piperidine-1-carbonylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-(piperidine-1-carbonylamino)benzoate
PubChem CID79156721
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namepropyl 4-(piperidine-1-carbonylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-12-21-15(19)13-6-8-14(9-7-13)17-16(20)18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,20)
InChIKeyJCVOTNVGVHQTRK-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]benzoate
CID 54812870
ethyl 1-[(4-butoxycarbonylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3803670
butyl 4-(thiomorpholine-4-carbonylamino)benzoate
CID 3408744
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
propyl 4-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]benzoate
CID 47040005
tert-butyl 4-[(4-butoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 55741049
propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate
CID 26199007
ethyl 4-[(4-pentylpiperazine-1-carbonyl)amino]benzoate
CID 17185017
ethyl 4-(1,5-dioxa-9-azaspiro[5.5]undecane-9-carbonylamino)benzoate
CID 3364721
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
butyl 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoate
CID 47039962
tert-butyl 4-[(4-ethoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 46743132

Frequently Asked Questions

What is the IUPAC name of propyl 4-(piperidine-1-carbonylamino)benzoate?
The IUPAC name of propyl 4-(piperidine-1-carbonylamino)benzoate (CID 79156721) is propyl 4-(piperidine-1-carbonylamino)benzoate.
What is the SMILES notation for propyl 4-(piperidine-1-carbonylamino)benzoate?
The canonical SMILES for propyl 4-(piperidine-1-carbonylamino)benzoate is CCCOC(=O)c1ccc(NC(=O)N2CCCCC2)cc1.
What is the InChIKey of propyl 4-(piperidine-1-carbonylamino)benzoate?
The InChIKey is JCVOTNVGVHQTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-12-21-15(19)13-6-8-14(9-7-13)17-16(20)18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,20).
What are the key properties of propyl 4-(piperidine-1-carbonylamino)benzoate?
propyl 4-(piperidine-1-carbonylamino)benzoate has a molecular weight of 290.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(piperidine-1-carbonylamino)benzoate is sourced from PubChem (CID 79156721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).