1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide

C15H22N4O2 — CID 61110315

IUPAC1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C15H22N4O2/c1-2-18-14(20)10-5-7-19(8-6-10)15(21)12-4-3-11(16)9-13(12)17/h3-4,9-10H,2,5-8,16-17H2,1H3,(H,18,20)
InChIKeyPAHHOYPTYFQWMZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.84
Rot. Bonds3

About 1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide

1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide (PubChem CID 61110315) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide
PubChem CID61110315
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C15H22N4O2/c1-2-18-14(20)10-5-7-19(8-6-10)15(21)12-4-3-11(16)9-13(12)17/h3-4,9-10H,2,5-8,16-17H2,1H3,(H,18,20)
InChIKeyPAHHOYPTYFQWMZ-UHFFFAOYSA-N
XLogP0.84
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947
1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
CID 120619834
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 120622057
(2,4-diaminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62935991
1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119697609
1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide (CID 61110315) is 1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(C(=O)c2ccc(N)cc2N)CC1.
What is the InChIKey of 1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide?
The InChIKey is PAHHOYPTYFQWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-18-14(20)10-5-7-19(8-6-10)15(21)12-4-3-11(16)9-13(12)17/h3-4,9-10H,2,5-8,16-17H2,1H3,(H,18,20).
What are the key properties of 1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide?
1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 61110315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).