[4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone

C30H39FN2O2 — CID 134420631

IUPAC[4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(OCC3CCN(CC4(F)CCCCC4)CC3)cc2)cc1)N1CCCC1
InChIInChI=1S/C30H39FN2O2/c31-30(16-2-1-3-17-30)23-32-20-14-24(15-21-32)22-35-28-12-10-26(11-13-28)25-6-8-27(9-7-25)29(34)33-18-4-5-19-33/h6-13,24H,1-5,14-23H2
InChIKeyMKSRIAKJYXBUIP-UHFFFAOYSA-N
MW478.65 g/mol
LogP6.35
Rot. Bonds7

About [4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 134420631) has the molecular formula C30H39FN2O2 and a molecular weight of 478.65 g/mol. Its IUPAC name is [4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID134420631
Molecular FormulaC30H39FN2O2
Molecular Weight478.65 g/mol
Exact Mass478.30
IUPAC Name[4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(OCC3CCN(CC4(F)CCCCC4)CC3)cc2)cc1)N1CCCC1
InChIInChI=1S/C30H39FN2O2/c31-30(16-2-1-3-17-30)23-32-20-14-24(15-21-32)22-35-28-12-10-26(11-13-28)25-6-8-27(9-7-25)29(34)33-18-4-5-19-33/h6-13,24H,1-5,14-23H2
InChIKeyMKSRIAKJYXBUIP-UHFFFAOYSA-N
XLogP6.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.65
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344
[(3S)-3-methylpyrrolidin-1-yl]-[4-[4-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]phenyl]phenyl]methanone
CID 162613575
pyrrolidin-1-yl-[4-[6-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]-3-pyridinyl]phenyl]methanone
CID 146229160
pyrrolidin-1-yl-[4-[6-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]-3-pyridinyl]phenyl]methanone
CID 72699662
2-(4-fluorophenoxy)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150393
N,N-dimethyl-4-[4-[[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]methoxy]phenyl]benzamide
CID 118147802
1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]piperidine-4-carbonitrile
CID 118147891
[4-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150391
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
[4-[4-[[1-(2-fluorobutyl)piperidin-4-yl]methoxy]phenyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 134420597
[4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150363

Frequently Asked Questions

What is the IUPAC name of [4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone (CID 134420631) is [4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(-c2ccc(OCC3CCN(CC4(F)CCCCC4)CC3)cc2)cc1)N1CCCC1.
What is the InChIKey of [4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is MKSRIAKJYXBUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN2O2/c31-30(16-2-1-3-17-30)23-32-20-14-24(15-21-32)22-35-28-12-10-26(11-13-28)25-6-8-27(9-7-25)29(34)33-18-4-5-19-33/h6-13,24H,1-5,14-23H2.
What are the key properties of [4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 478.65 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[1-[(1-fluorocyclohexyl)methyl]piperidin-4-yl]methoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134420631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).