(4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone

C22H31N3O — CID 151018806

IUPAC(4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1cccc(N2CCCC2)c1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C22H31N3O/c26-22(25-13-11-24(12-14-25)18-6-4-7-18)21-16-20(21)17-5-3-8-19(15-17)23-9-1-2-10-23/h3,5,8,15,18,20-21H,1-2,4,6-7,9-14,16H2/t20-,21+/m0/s1
InChIKeyLXQKXZNAKJRWGK-LEWJYISDSA-N
MW353.51 g/mol
LogP3.09
Rot. Bonds4

About (4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone

(4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone (PubChem CID 151018806) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is (4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone
PubChem CID151018806
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name(4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1cccc(N2CCCC2)c1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C22H31N3O/c26-22(25-13-11-24(12-14-25)18-6-4-7-18)21-16-20(21)17-5-3-8-19(15-17)23-9-1-2-10-23/h3,5,8,15,18,20-21H,1-2,4,6-7,9-14,16H2/t20-,21+/m0/s1
InChIKeyLXQKXZNAKJRWGK-LEWJYISDSA-N
XLogP3.09
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone with MolForge

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Related Compounds

(4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone
CID 71936510
(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
CID 71878323
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone
CID 124853640
[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98767571
(4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]methanone
CID 25196792
1-[2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119166076
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590738
(4-cyclopentylpiperazin-1-yl)-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590740
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 95590084
cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 114092241

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone?
The IUPAC name of (4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone (CID 151018806) is (4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone.
What is the SMILES notation for (4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone?
The canonical SMILES for (4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone is O=C([C@@H]1C[C@H]1c1cccc(N2CCCC2)c1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone?
The InChIKey is LXQKXZNAKJRWGK-LEWJYISDSA-N. The full InChI is InChI=1S/C22H31N3O/c26-22(25-13-11-24(12-14-25)18-6-4-7-18)21-16-20(21)17-5-3-8-19(15-17)23-9-1-2-10-23/h3,5,8,15,18,20-21H,1-2,4,6-7,9-14,16H2/t20-,21+/m0/s1.
What are the key properties of (4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone?
(4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone has a molecular weight of 353.51 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 151018806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).