[4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone

C17H27N3O — CID 113073778

IUPAC[4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(CCCN(C)C)CC2)c1
InChIInChI=1S/C17H27N3O/c1-15-6-4-7-16(14-15)17(21)20-12-10-19(11-13-20)9-5-8-18(2)3/h4,6-7,14H,5,8-13H2,1-3H3
InChIKeyULZAZMNZRVUWGX-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.70
Rot. Bonds5

About [4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone

[4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 113073778) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID113073778
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(CCCN(C)C)CC2)c1
InChIInChI=1S/C17H27N3O/c1-15-6-4-7-16(14-15)17(21)20-12-10-19(11-13-20)9-5-8-18(2)3/h4,6-7,14H,5,8-13H2,1-3H3
InChIKeyULZAZMNZRVUWGX-UHFFFAOYSA-N
XLogP1.70
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073783
(3,4-dimethoxyphenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073794
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
3-[4-(3-methylbenzoyl)piperazin-1-yl]propanenitrile
CID 28705387
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-[3-(dimethylamino)propyl]piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 44523934
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113073115
4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 75460696
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(4-sulfanylphenyl)methanone
CID 107028812
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 71783046

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone (CID 113073778) is [4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(CCCN(C)C)CC2)c1.
What is the InChIKey of [4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is ULZAZMNZRVUWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-15-6-4-7-16(14-15)17(21)20-12-10-19(11-13-20)9-5-8-18(2)3/h4,6-7,14H,5,8-13H2,1-3H3.
What are the key properties of [4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone?
[4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 289.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)propyl]piperazin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 113073778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).