(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone

C15H22N2O — CID 70962080

IUPAC(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O/c1-3-5-13-6-4-7-14(12-13)15(18)17-10-8-16(2)9-11-17/h4,6-7,12H,3,5,8-11H2,1-2H3
InChIKeyFVOKYEPERKUVQL-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.03
Rot. Bonds3

About (4-methylpiperazin-1-yl)-(3-propylphenyl)methanone

(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone (PubChem CID 70962080) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
PubChem CID70962080
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O/c1-3-5-13-6-4-7-14(12-13)15(18)17-10-8-16(2)9-11-17/h4,6-7,12H,3,5,8-11H2,1-2H3
InChIKeyFVOKYEPERKUVQL-UHFFFAOYSA-N
XLogP2.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
CID 174584749
CID 174584749
3-butyl-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 30335564
5-methyl-1-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrrole-3-carboxylic acid
CID 67377677
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 119402312
4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109053495
[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62591369
3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(3-propylphenyl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(3-propylphenyl)methanone (CID 70962080) is (4-methylpiperazin-1-yl)-(3-propylphenyl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(3-propylphenyl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(3-propylphenyl)methanone?
The InChIKey is FVOKYEPERKUVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-5-13-6-4-7-14(12-13)15(18)17-10-8-16(2)9-11-17/h4,6-7,12H,3,5,8-11H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(3-propylphenyl)methanone?
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(3-propylphenyl)methanone is sourced from PubChem (CID 70962080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).