[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone

C19H29ClN4O2 — CID 141317152

IUPAC[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)cc1Cl
InChIInChI=1S/C19H29ClN4O2/c1-14(2)24-7-6-21-17(13-24)19(25)23-10-8-22(9-11-23)15-4-5-18(26-3)16(20)12-15/h4-5,12,14,17,21H,6-11,13H2,1-3H3/t17-/m1/s1
InChIKeyFVKPDWXRYOSTGL-QGZVFWFLSA-N
MW380.92 g/mol
LogP1.68
Rot. Bonds4

About [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone

[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone (PubChem CID 141317152) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
PubChem CID141317152
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)cc1Cl
InChIInChI=1S/C19H29ClN4O2/c1-14(2)24-7-6-21-17(13-24)19(25)23-10-8-22(9-11-23)15-4-5-18(26-3)16(20)12-15/h4-5,12,14,17,21H,6-11,13H2,1-3H3/t17-/m1/s1
InChIKeyFVKPDWXRYOSTGL-QGZVFWFLSA-N
XLogP1.68
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[(2R)-4-(1-cyclopropylethyl)piperazin-2-yl]-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 141317150
[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
CID 59845995
[4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane
CID 143491994
[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 59846079
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone
CID 72577389
1-(3-chloro-4-methoxyphenyl)-3-methylpiperazine
CID 64924296
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 113077108
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone
CID 59846080
[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane
CID 143492010
4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111468
[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride
CID 67158369
1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077100

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone?
The IUPAC name of [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone (CID 141317152) is [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone.
What is the SMILES notation for [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone?
The canonical SMILES for [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone is COc1ccc(N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)cc1Cl.
What is the InChIKey of [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone?
The InChIKey is FVKPDWXRYOSTGL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29ClN4O2/c1-14(2)24-7-6-21-17(13-24)19(25)23-10-8-22(9-11-23)15-4-5-18(26-3)16(20)12-15/h4-5,12,14,17,21H,6-11,13H2,1-3H3/t17-/m1/s1.
What are the key properties of [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone?
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone has a molecular weight of 380.92 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone is sourced from PubChem (CID 141317152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).