1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide

C15H21N3O2 — CID 60963126

IUPAC1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-2-17-14(19)11-7-9-18(10-8-11)15(20)12-3-5-13(16)6-4-12/h3-6,11H,2,7-10,16H2,1H3,(H,17,19)
InChIKeyREOJZEFJEHPCFL-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.26
Rot. Bonds3

About 1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide

1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide (PubChem CID 60963126) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
PubChem CID60963126
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-2-17-14(19)11-7-9-18(10-8-11)15(20)12-3-5-13(16)6-4-12/h3-6,11H,2,7-10,16H2,1H3,(H,17,19)
InChIKeyREOJZEFJEHPCFL-UHFFFAOYSA-N
XLogP1.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 61110315
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
N-ethyl-1-(2-fluoropyridine-4-carbonyl)piperidine-4-carboxamide
CID 61294389
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843977
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815
1-(4-chlorobenzoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8751751
N-ethyl-1-(6-phenoxypyridine-3-carbonyl)piperidine-4-carboxamide
CID 87016013
1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
CID 120619834
1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 60777066

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide (CID 60963126) is 1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide?
The InChIKey is REOJZEFJEHPCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-17-14(19)11-7-9-18(10-8-11)15(20)12-3-5-13(16)6-4-12/h3-6,11H,2,7-10,16H2,1H3,(H,17,19).
What are the key properties of 1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide?
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 60963126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).