(4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone

C23H27Cl2N3O2 — CID 24946138

IUPAC(4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone
SMILESCNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H27Cl2N3O2/c1-26-14-18-13-17(23(29)28-10-8-27(9-11-28)19-4-5-19)3-7-22(18)30-15-16-2-6-20(24)21(25)12-16/h2-3,6-7,12-13,19,26H,4-5,8-11,14-15H2,1H3
InChIKeyPLNZNJYRHDOZLK-UHFFFAOYSA-N
MW448.39 g/mol
LogP4.21
Rot. Bonds7

About (4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone

(4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone (PubChem CID 24946138) has the molecular formula C23H27Cl2N3O2 and a molecular weight of 448.39 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone
PubChem CID24946138
Molecular FormulaC23H27Cl2N3O2
Molecular Weight448.39 g/mol
Exact Mass447.15
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone
SMILESCNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H27Cl2N3O2/c1-26-14-18-13-17(23(29)28-10-8-27(9-11-28)19-4-5-19)3-7-22(18)30-15-16-2-6-20(24)21(25)12-16/h2-3,6-7,12-13,19,26H,4-5,8-11,14-15H2,1H3
InChIKeyPLNZNJYRHDOZLK-UHFFFAOYSA-N
XLogP4.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopropyl-1,4-diazepan-1-yl)-[4-(2,3-dichlorophenoxy)-3-(methylaminomethyl)phenyl]methanone
CID 24856079
(4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-pyridin-2-yloxyphenyl]methanone
CID 24856103
[4-[1-[4-[(3,4-dichlorophenyl)methoxy]-3-fluorobenzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 71232085
(4-cyclopropyl-1,4-diazepan-1-yl)-[4-(2-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone
CID 24856108
(4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-[2-(trifluoromethoxy)phenoxy]phenyl]methanone
CID 24856046
3-[4-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-2-(methylaminomethyl)phenoxy]benzonitrile
CID 24856010
(4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-pyridin-2-ylsulfanylphenyl]methanone
CID 24856083
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 8815161
[4-(4-chlorophenoxy)-3-[(cyclopropylmethylamino)methyl]phenyl]-(4-cyclopropyl-1,4-diazepan-1-yl)methanone
CID 68979223
3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311939
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]methanone
CID 71260003
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone (CID 24946138) is (4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone is CNCc1cc(C(=O)N2CCN(C3CC3)CC2)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone?
The InChIKey is PLNZNJYRHDOZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O2/c1-26-14-18-13-17(23(29)28-10-8-27(9-11-28)19-4-5-19)3-7-22(18)30-15-16-2-6-20(24)21(25)12-16/h2-3,6-7,12-13,19,26H,4-5,8-11,14-15H2,1H3.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone?
(4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone has a molecular weight of 448.39 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[4-[(3,4-dichlorophenyl)methoxy]-3-(methylaminomethyl)phenyl]methanone is sourced from PubChem (CID 24946138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).