cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone

C22H24N2O2 — CID 126425652

IUPACcyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(-c3ccc(C(=O)C4CC4)cc3)c2)CCN1
InChIInChI=1S/C22H24N2O2/c1-15-14-24(12-11-23-15)22(26)20-4-2-3-19(13-20)16-5-7-17(8-6-16)21(25)18-9-10-18/h2-8,13,15,18,23H,9-12,14H2,1H3/t15-/m1/s1
InChIKeySXKJZGHFVYPVLX-OAHLLOKOSA-N
MW348.45 g/mol
LogP3.38
Rot. Bonds4

About cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone

cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone (PubChem CID 126425652) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone
PubChem CID126425652
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Namecyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2cccc(-c3ccc(C(=O)C4CC4)cc3)c2)CCN1
InChIInChI=1S/C22H24N2O2/c1-15-14-24(12-11-23-15)22(26)20-4-2-3-19(13-20)16-5-7-17(8-6-16)21(25)18-9-10-18/h2-8,13,15,18,23H,9-12,14H2,1H3/t15-/m1/s1
InChIKeySXKJZGHFVYPVLX-OAHLLOKOSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-methylpiperazin-1-yl]-[3-(4-methylsulfonylphenyl)phenyl]methanone
CID 125169525
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
methyl 3-[(3S)-3-methylpiperazine-1-carbonyl]benzoate
CID 176515178
[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 81426962
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
N-methyl-3-(3-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119578603
acetic acid;3-[3-(3-methylpiperazine-1-carbonyl)phenyl]chromen-2-one
CID 172897042
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693
(3-bromo-4-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 102612021
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone?
The IUPAC name of cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone (CID 126425652) is cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone is C[C@@H]1CN(C(=O)c2cccc(-c3ccc(C(=O)C4CC4)cc3)c2)CCN1.
What is the InChIKey of cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone?
The InChIKey is SXKJZGHFVYPVLX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-14-24(12-11-23-15)22(26)20-4-2-3-19(13-20)16-5-7-17(8-6-16)21(25)18-9-10-18/h2-8,13,15,18,23H,9-12,14H2,1H3/t15-/m1/s1.
What are the key properties of cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone?
cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone has a molecular weight of 348.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-[(3R)-3-methylpiperazine-1-carbonyl]phenyl]phenyl]methanone is sourced from PubChem (CID 126425652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).