3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one

C18H26N2O — CID 146920807

IUPAC3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CC[C@]2(C)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H26N2O/c1-18(14-16(18)15-6-4-3-5-7-15)9-8-17(21)20-12-10-19(2)11-13-20/h3-7,16H,8-14H2,1-2H3/t16-,18+/m0/s1
InChIKeyADDJQSPSHTUNKB-FUHWJXTLSA-N
MW286.42 g/mol
LogP2.73
Rot. Bonds4

About 3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one

3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 146920807) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID146920807
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CC[C@]2(C)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H26N2O/c1-18(14-16(18)15-6-4-3-5-7-15)9-8-17(21)20-12-10-19(2)11-13-20/h3-7,16H,8-14H2,1-2H3/t16-,18+/m0/s1
InChIKeyADDJQSPSHTUNKB-FUHWJXTLSA-N
XLogP2.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one (CID 146920807) is 3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)CC[C@]2(C)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is ADDJQSPSHTUNKB-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(14-16(18)15-6-4-3-5-7-15)9-8-17(21)20-12-10-19(2)11-13-20/h3-7,16H,8-14H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of 3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one?
3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 286.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-1-methyl-2-phenylcyclopropyl]-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 146920807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).