2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

C22H32N2O2 — CID 125170778

IUPAC2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(CC1CCN(Cc2ccccc2)CC1)N1CCC[C@]2(CCOC2)C1
InChIInChI=1S/C22H32N2O2/c25-21(24-11-4-9-22(17-24)10-14-26-18-22)15-19-7-12-23(13-8-19)16-20-5-2-1-3-6-20/h1-3,5-6,19H,4,7-18H2/t22-/m0/s1
InChIKeyRCMUMTFCGPGHID-QFIPXVFZSA-N
MW356.51 g/mol
LogP3.32
Rot. Bonds4

About 2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 125170778) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
PubChem CID125170778
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(CC1CCN(Cc2ccccc2)CC1)N1CCC[C@]2(CCOC2)C1
InChIInChI=1S/C22H32N2O2/c25-21(24-11-4-9-22(17-24)10-14-26-18-22)15-19-7-12-23(13-8-19)16-20-5-2-1-3-6-20/h1-3,5-6,19H,4,7-18H2/t22-/m0/s1
InChIKeyRCMUMTFCGPGHID-QFIPXVFZSA-N
XLogP3.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone with MolForge

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Related Compounds

(E)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-3-phenylprop-2-en-1-one
CID 72880194
(E)-1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]-3-phenylprop-2-en-1-one
CID 97128224
1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)-2-phenylsulfanylethanone
CID 91839939
1-(2-azaspiro[4.5]decan-2-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 92633604
1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 97145730
2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97280143
2-[9-(1-benzylpiperidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-pyrrolidin-1-ylethanone
CID 91919408
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900654
2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid
CID 124751060
2-(4-methylsulfonylphenyl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97125075
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146122570
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 175649098

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 125170778) is 2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is O=C(CC1CCN(Cc2ccccc2)CC1)N1CCC[C@]2(CCOC2)C1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is RCMUMTFCGPGHID-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-21(24-11-4-9-22(17-24)10-14-26-18-22)15-19-7-12-23(13-8-19)16-20-5-2-1-3-6-20/h1-3,5-6,19H,4,7-18H2/t22-/m0/s1.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 356.51 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 125170778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).