[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone

C15H23N3O2 — CID 28705903

IUPAC[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(CCCN)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-20-14-5-2-4-13(12-14)15(19)18-10-8-17(9-11-18)7-3-6-16/h2,4-5,12H,3,6-11,16H2,1H3
InChIKeyRVZOFHDDSDTXNF-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.80
Rot. Bonds5

About [4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 28705903) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID28705903
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(CCCN)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-20-14-5-2-4-13(12-14)15(19)18-10-8-17(9-11-18)7-3-6-16/h2,4-5,12H,3,6-11,16H2,1H3
InChIKeyRVZOFHDDSDTXNF-UHFFFAOYSA-N
XLogP0.80
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-aminopropyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 54852636
[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 23905789
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980904
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 33323201
(3-fluorophenyl)-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110412308
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(3-hydroxyphenyl)methanone
CID 43251888
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 28705903) is [4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(CCCN)CC2)c1.
What is the InChIKey of [4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is RVZOFHDDSDTXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-14-5-2-4-13(12-14)15(19)18-10-8-17(9-11-18)7-3-6-16/h2,4-5,12H,3,6-11,16H2,1H3.
What are the key properties of [4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 277.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 28705903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).