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

C21H26N2O2 — CID 828823

IUPAC(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-11-9-19(10-12-20)21(24)23-16-14-22(15-17-23)13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-17H2,1H3
InChIKeyQUHKTRDPOJXZCD-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.09
Rot. Bonds6

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

(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone (PubChem CID 828823) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
PubChem CID828823
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-11-9-19(10-12-20)21(24)23-16-14-22(15-17-23)13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-17H2,1H3
InChIKeyQUHKTRDPOJXZCD-UHFFFAOYSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
oxalic acid;[4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 2927354
(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 118666758
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
[4-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24793060
3-(4-benzoylpiperazin-1-yl)-1-[4-(4-methoxyphenoxy)phenyl]propan-1-one;dihydrochloride
CID 18362769
4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358322
(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone
CID 42415249
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 35231408

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone (CID 828823) is (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(CCCc3ccccc3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone?
The InChIKey is QUHKTRDPOJXZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-11-9-19(10-12-20)21(24)23-16-14-22(15-17-23)13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-17H2,1H3.
What are the key properties of (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 828823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).