(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone

C17H25N3O — CID 62178193

IUPAC(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C17H25N3O/c1-2-9-18-15-5-3-14(4-6-15)17(21)20-12-10-19(11-13-20)16-7-8-16/h3-6,16,18H,2,7-13H2,1H3
InChIKeyALWKOKQBIHVXTJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.43
Rot. Bonds5

About (4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone

(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone (PubChem CID 62178193) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
PubChem CID62178193
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C17H25N3O/c1-2-9-18-15-5-3-14(4-6-15)17(21)20-12-10-19(11-13-20)16-7-8-16/h3-6,16,18H,2,7-13H2,1H3
InChIKeyALWKOKQBIHVXTJ-UHFFFAOYSA-N
XLogP2.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-(propylamino)phenyl]methanone
CID 79933698
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62177305
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179564
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184
(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 63605486
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 64583564
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62177839
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
[4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540449
[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 30936775

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone (CID 62178193) is (4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone is CCCNc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone?
The InChIKey is ALWKOKQBIHVXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-9-18-15-5-3-14(4-6-15)17(21)20-12-10-19(11-13-20)16-7-8-16/h3-6,16,18H,2,7-13H2,1H3.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone?
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone is sourced from PubChem (CID 62178193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).