4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide

C15H24N4O — CID 63356906

IUPAC4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide
SMILESCCCN1CCC(Nc2cc(C(N)=O)ccc2N)CC1
InChIInChI=1S/C15H24N4O/c1-2-7-19-8-5-12(6-9-19)18-14-10-11(15(17)20)3-4-13(14)16/h3-4,10,12,18H,2,5-9,16H2,1H3,(H2,17,20)
InChIKeyUUCUJPDFODYKTK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.65
Rot. Bonds5

About 4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide

4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide (PubChem CID 63356906) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide
PubChem CID63356906
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide
SMILESCCCN1CCC(Nc2cc(C(N)=O)ccc2N)CC1
InChIInChI=1S/C15H24N4O/c1-2-7-19-8-5-12(6-9-19)18-14-10-11(15(17)20)3-4-13(14)16/h3-4,10,12,18H,2,5-9,16H2,1H3,(H2,17,20)
InChIKeyUUCUJPDFODYKTK-UHFFFAOYSA-N
XLogP1.65
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.65
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

4-amino-3-(cyclopropylamino)benzamide
CID 63355783
3-bromo-4-[(1-propylpiperidin-4-yl)amino]benzoic acid
CID 82800456
4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 63357031
4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide
CID 65074007
2-[2-[(1-propylpiperidin-4-yl)amino]phenyl]acetamide
CID 43738460
6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115425364
4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine
CID 116735684
5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide
CID 63674899
2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43736426
5-bromo-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide
CID 114891528
4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide?
The IUPAC name of 4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide (CID 63356906) is 4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide?
The canonical SMILES for 4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide is CCCN1CCC(Nc2cc(C(N)=O)ccc2N)CC1.
What is the InChIKey of 4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide?
The InChIKey is UUCUJPDFODYKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-7-19-8-5-12(6-9-19)18-14-10-11(15(17)20)3-4-13(14)16/h3-4,10,12,18H,2,5-9,16H2,1H3,(H2,17,20).
What are the key properties of 4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide?
4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide is sourced from PubChem (CID 63356906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).