cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone

C22H31FN2O — CID 95543540

IUPACcyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(N2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C22H31FN2O/c23-20-9-5-17(6-10-20)3-4-18-2-1-13-25(16-18)21-11-14-24(15-12-21)22(26)19-7-8-19/h5-6,9-10,18-19,21H,1-4,7-8,11-16H2/t18-/m0/s1
InChIKeyCFYTYTSLRMGEEW-SFHVURJKSA-N
MW358.50 g/mol
LogP3.87
Rot. Bonds5

About cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone

cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 95543540) has the molecular formula C22H31FN2O and a molecular weight of 358.50 g/mol. Its IUPAC name is cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID95543540
Molecular FormulaC22H31FN2O
Molecular Weight358.50 g/mol
Exact Mass358.24
IUPAC Namecyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(N2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C22H31FN2O/c23-20-9-5-17(6-10-20)3-4-18-2-1-13-25(16-18)21-11-14-24(15-12-21)22(26)19-7-8-19/h5-6,9-10,18-19,21H,1-4,7-8,11-16H2/t18-/m0/s1
InChIKeyCFYTYTSLRMGEEW-SFHVURJKSA-N
XLogP3.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone
CID 95543541
1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 95553032
ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate
CID 56917298
3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine
CID 56880067
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363
2-(dimethylamino)-1-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95549011
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749
3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95707410
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56872964
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95552871
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone (CID 95543540) is cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(N2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1.
What is the InChIKey of cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is CFYTYTSLRMGEEW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H31FN2O/c23-20-9-5-17(6-10-20)3-4-18-2-1-13-25(16-18)21-11-14-24(15-12-21)22(26)19-7-8-19/h5-6,9-10,18-19,21H,1-4,7-8,11-16H2/t18-/m0/s1.
What are the key properties of cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 358.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95543540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).