4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide

C15H22N4O — CID 63356184

IUPAC4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N)c(N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C15H22N4O/c16-13-4-3-12(15(17)20)9-14(13)19-7-5-18(6-8-19)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10,16H2,(H2,17,20)
InChIKeyYAOSQELZDLMTRR-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.90
Rot. Bonds4

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

4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide (PubChem CID 63356184) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide
PubChem CID63356184
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N)c(N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C15H22N4O/c16-13-4-3-12(15(17)20)9-14(13)19-7-5-18(6-8-19)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10,16H2,(H2,17,20)
InChIKeyYAOSQELZDLMTRR-UHFFFAOYSA-N
XLogP0.90
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide?
The IUPAC name of 4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide (CID 63356184) is 4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide is NC(=O)c1ccc(N)c(N2CCN(CC3CC3)CC2)c1.
What is the InChIKey of 4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide?
The InChIKey is YAOSQELZDLMTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c16-13-4-3-12(15(17)20)9-14(13)19-7-5-18(6-8-19)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10,16H2,(H2,17,20).
What are the key properties of 4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide?
4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide has a molecular weight of 274.37 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 63356184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).