[9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone

C23H27ClN2O — CID 52942458

IUPAC[9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(CCN(Cc3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C23H27ClN2O/c24-21-8-4-5-19(17-21)18-25-13-9-23(10-14-25)11-15-26(16-12-23)22(27)20-6-2-1-3-7-20/h1-8,17H,9-16,18H2
InChIKeyRTOVDRRASKFSTF-UHFFFAOYSA-N
MW382.93 g/mol
LogP4.86
Rot. Bonds3

About [9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone

[9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone (PubChem CID 52942458) has the molecular formula C23H27ClN2O and a molecular weight of 382.93 g/mol. Its IUPAC name is [9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone
PubChem CID52942458
Molecular FormulaC23H27ClN2O
Molecular Weight382.93 g/mol
Exact Mass382.18
IUPAC Name[9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(CCN(Cc3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C23H27ClN2O/c24-21-8-4-5-19(17-21)18-25-13-9-23(10-14-25)11-15-26(16-12-23)22(27)20-6-2-1-3-7-20/h1-8,17H,9-16,18H2
InChIKeyRTOVDRRASKFSTF-UHFFFAOYSA-N
XLogP4.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone?
The IUPAC name of [9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone (CID 52942458) is [9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone.
What is the SMILES notation for [9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone?
The canonical SMILES for [9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC2(CCN(Cc3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of [9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone?
The InChIKey is RTOVDRRASKFSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O/c24-21-8-4-5-19(17-21)18-25-13-9-23(10-14-25)11-15-26(16-12-23)22(27)20-6-2-1-3-7-20/h1-8,17H,9-16,18H2.
What are the key properties of [9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone?
[9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone has a molecular weight of 382.93 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(3-chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone is sourced from PubChem (CID 52942458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).