1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone

C22H34N2O2 — CID 58747950

IUPAC1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone
SMILESCC[C@H](C)N1CCC(OC2CCN(c3ccc(C(C)=O)cc3)CC2)CC1
InChIInChI=1S/C22H34N2O2/c1-4-17(2)23-13-9-21(10-14-23)26-22-11-15-24(16-12-22)20-7-5-19(6-8-20)18(3)25/h5-8,17,21-22H,4,9-16H2,1-3H3/t17-/m0/s1
InChIKeyOFSOWRWVXOGACO-KRWDZBQOSA-N
MW358.53 g/mol
LogP4.14
Rot. Bonds6

About 1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone

1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone (PubChem CID 58747950) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone
PubChem CID58747950
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone
SMILESCC[C@H](C)N1CCC(OC2CCN(c3ccc(C(C)=O)cc3)CC2)CC1
InChIInChI=1S/C22H34N2O2/c1-4-17(2)23-13-9-21(10-14-23)26-22-11-15-24(16-12-22)20-7-5-19(6-8-20)18(3)25/h5-8,17,21-22H,4,9-16H2,1-3H3/t17-/m0/s1
InChIKeyOFSOWRWVXOGACO-KRWDZBQOSA-N
XLogP4.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone with MolForge

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Related Compounds

1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone
CID 58747945
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 57442577
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112625956
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
4-[2-[4-(4-acetylphenyl)piperazin-1-yl]propanoyloxy]butyl 2-[4-(4-acetylphenyl)piperazin-1-yl]propanoate
CID 58835425
4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide
CID 20519340
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one
CID 61252307
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone
CID 63158758
4-(4-pentan-2-ylpiperazin-1-yl)benzoic acid
CID 66975271
1-[4-(4-acetylphenyl)piperazin-1-yl]prop-2-en-1-one;2-methylpropane
CID 161095625

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone (CID 58747950) is 1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone is CC[C@H](C)N1CCC(OC2CCN(c3ccc(C(C)=O)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone?
The InChIKey is OFSOWRWVXOGACO-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-4-17(2)23-13-9-21(10-14-23)26-22-11-15-24(16-12-22)20-7-5-19(6-8-20)18(3)25/h5-8,17,21-22H,4,9-16H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone?
1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone has a molecular weight of 358.53 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 58747950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).