2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone

C27H30N2O3 — CID 161221422

IUPAC2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone
SMILESCC1(C(=O)N2CCN(C(=O)c3ccc(-c4cccc(C(=O)CC5CC5)c4)cc3)CC2)CC1
InChIInChI=1S/C27H30N2O3/c1-27(11-12-27)26(32)29-15-13-28(14-16-29)25(31)21-9-7-20(8-10-21)22-3-2-4-23(18-22)24(30)17-19-5-6-19/h2-4,7-10,18-19H,5-6,11-17H2,1H3
InChIKeyUXOGNJRNCMOCSD-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.42
Rot. Bonds6

About 2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone

2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone (PubChem CID 161221422) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone
PubChem CID161221422
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone
SMILESCC1(C(=O)N2CCN(C(=O)c3ccc(-c4cccc(C(=O)CC5CC5)c4)cc3)CC2)CC1
InChIInChI=1S/C27H30N2O3/c1-27(11-12-27)26(32)29-15-13-28(14-16-29)25(31)21-9-7-20(8-10-21)22-3-2-4-23(18-22)24(30)17-19-5-6-19/h2-4,7-10,18-19H,5-6,11-17H2,1H3
InChIKeyUXOGNJRNCMOCSD-UHFFFAOYSA-N
XLogP4.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-[2-(cyclopropylmethyl)prop-2-enyl]phenyl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 157352591
[4-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 162090850
[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-ylmethyl)indazol-6-yl]phenyl]methanone
CID 158682998
[4-(1,3-dimethylindazol-6-yl)phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 159397655
[4-[3-(2-cyclopropylprop-2-enyl)phenyl]-2-methylphenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 157181660
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone
CID 119069998
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-cyclopropyloxyphenyl)phenyl]methanone
CID 118633877
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 126484492
(2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone
CID 24993698

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone (CID 161221422) is 2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone is CC1(C(=O)N2CCN(C(=O)c3ccc(-c4cccc(C(=O)CC5CC5)c4)cc3)CC2)CC1.
What is the InChIKey of 2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone?
The InChIKey is UXOGNJRNCMOCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-27(11-12-27)26(32)29-15-13-28(14-16-29)25(31)21-9-7-20(8-10-21)22-3-2-4-23(18-22)24(30)17-19-5-6-19/h2-4,7-10,18-19H,5-6,11-17H2,1H3.
What are the key properties of 2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone?
2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone has a molecular weight of 430.55 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone is sourced from PubChem (CID 161221422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).