(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone

C16H25N3O — CID 63605486

IUPAC(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCN(C)C(C)C2)cc1
InChIInChI=1S/C16H25N3O/c1-4-9-17-15-7-5-14(6-8-15)16(20)19-11-10-18(3)13(2)12-19/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyUDEBUMMHRGLJGC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.28
Rot. Bonds4

About (3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone

(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone (PubChem CID 63605486) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
PubChem CID63605486
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCN(C)C(C)C2)cc1
InChIInChI=1S/C16H25N3O/c1-4-9-17-15-7-5-14(6-8-15)16(20)19-11-10-18(3)13(2)12-19/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyUDEBUMMHRGLJGC-UHFFFAOYSA-N
XLogP2.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540449
(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179564
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-(propylamino)phenyl]methanone
CID 79933698
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62178193
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 64583564
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102
(2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179694
1-methyl-4-[4-(propylamino)benzoyl]-1,4-diazepan-2-one
CID 102892326
(3-bromo-4-methylphenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 79595257
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)phenyl]methanone
CID 102886340

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone?
The IUPAC name of (3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone (CID 63605486) is (3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone.
What is the SMILES notation for (3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone?
The canonical SMILES for (3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone is CCCNc1ccc(C(=O)N2CCN(C)C(C)C2)cc1.
What is the InChIKey of (3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone?
The InChIKey is UDEBUMMHRGLJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-9-17-15-7-5-14(6-8-15)16(20)19-11-10-18(3)13(2)12-19/h5-8,13,17H,4,9-12H2,1-3H3.
What are the key properties of (3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone?
(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone is sourced from PubChem (CID 63605486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).