1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide

C15H21N3O2 — CID 62593665

IUPAC1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide
SMILESNCCc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H21N3O2/c16-7-4-11-2-1-3-13(10-11)15(20)18-8-5-12(6-9-18)14(17)19/h1-3,10,12H,4-9,16H2,(H2,17,19)
InChIKeyUFRMRBMDKWBOSS-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.53
Rot. Bonds4

About 1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide

1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 62593665) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide
PubChem CID62593665
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide
SMILESNCCc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H21N3O2/c16-7-4-11-2-1-3-13(10-11)15(20)18-8-5-12(6-9-18)14(17)19/h1-3,10,12H,4-9,16H2,(H2,17,19)
InChIKeyUFRMRBMDKWBOSS-UHFFFAOYSA-N
XLogP0.53
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide
CID 43333364
[3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone
CID 62594027
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62591369
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[3-(2-aminoethyl)phenyl]methanone
CID 82746772
1-[3-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 94786854
1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 56798532
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
(4-aminopiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119376092
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622383
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide (CID 62593665) is 1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide is NCCc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is UFRMRBMDKWBOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-7-4-11-2-1-3-13(10-11)15(20)18-8-5-12(6-9-18)14(17)19/h1-3,10,12H,4-9,16H2,(H2,17,19).
What are the key properties of 1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide?
1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 62593665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).