1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide

C15H21N3O3 — CID 81393685

IUPAC1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide
SMILESCCOc1cccc(N)c1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-12-5-3-4-11(16)13(12)15(20)18-8-6-10(7-9-18)14(17)19/h3-5,10H,2,6-9,16H2,1H3,(H2,17,19)
InChIKeyRPFFNZSEFUPQLL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.00
Rot. Bonds4

About 1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide

1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 81393685) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide
PubChem CID81393685
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide
SMILESCCOc1cccc(N)c1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-12-5-3-4-11(16)13(12)15(20)18-8-6-10(7-9-18)14(17)19/h3-5,10H,2,6-9,16H2,1H3,(H2,17,19)
InChIKeyRPFFNZSEFUPQLL-UHFFFAOYSA-N
XLogP1.00
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 81395178
(2-amino-6-ethoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954877
1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide
CID 63660702
(2-amino-6-ethoxyphenyl)-(1,4-thiazepan-4-yl)methanone
CID 81420725
(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 81420115
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
(2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 81420836
(2-amino-6-ethoxyphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81395801
2-[1-(2-amino-6-methoxybenzoyl)piperidin-4-yl]acetamide
CID 81394842
4-(2-amino-6-ethoxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888141
(2-amino-6-ethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 81396467
(2-amino-6-ethoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 81394683

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide (CID 81393685) is 1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide is CCOc1cccc(N)c1C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is RPFFNZSEFUPQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-12-5-3-4-11(16)13(12)15(20)18-8-6-10(7-9-18)14(17)19/h3-5,10H,2,6-9,16H2,1H3,(H2,17,19).
What are the key properties of 1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide?
1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-ethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 81393685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).