(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone

C22H26N2O3 — CID 90566711

IUPAC(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C3CC3)CC2c2ccccc2)c1
InChIInChI=1S/C22H26N2O3/c1-26-19-12-17(13-20(14-19)27-2)22(25)24-11-10-23(18-8-9-18)15-21(24)16-6-4-3-5-7-16/h3-7,12-14,18,21H,8-11,15H2,1-2H3
InChIKeyIDAWATHUKPPRKG-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.37
Rot. Bonds5

About (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone

(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone (PubChem CID 90566711) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone
PubChem CID90566711
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C3CC3)CC2c2ccccc2)c1
InChIInChI=1S/C22H26N2O3/c1-26-19-12-17(13-20(14-19)27-2)22(25)24-11-10-23(18-8-9-18)15-21(24)16-6-4-3-5-7-16/h3-7,12-14,18,21H,8-11,15H2,1-2H3
InChIKeyIDAWATHUKPPRKG-UHFFFAOYSA-N
XLogP3.37
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 90566717
2,1,3-benzothiadiazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
CID 90566856
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
CID 90566646
(4-chloro-3-nitrophenyl)-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
CID 90566740
(4-cyclopropyl-2-phenylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 90566745
1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 90566675
cyclopentyl 4-cyclopropyl-2-phenylpiperazine-1-carboxylate
CID 71801336
(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide
CID 97040903
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(3,5-dimethoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369324
1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 90566765

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone (CID 90566711) is (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)N2CCN(C3CC3)CC2c2ccccc2)c1.
What is the InChIKey of (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone?
The InChIKey is IDAWATHUKPPRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-19-12-17(13-20(14-19)27-2)22(25)24-11-10-23(18-8-9-18)15-21(24)16-6-4-3-5-7-16/h3-7,12-14,18,21H,8-11,15H2,1-2H3.
What are the key properties of (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone?
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone has a molecular weight of 366.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-phenylpiperazin-1-yl)-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 90566711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).