[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone

C22H25ClN2O2 — CID 52942610

IUPAC[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C22H25ClN2O2/c23-20-8-6-18(7-9-20)16-24-12-10-22(11-13-24)17-25(14-15-27-22)21(26)19-4-2-1-3-5-19/h1-9H,10-17H2
InChIKeyKQSBDHSJXORWPF-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.85
Rot. Bonds3

About [9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone

[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone (PubChem CID 52942610) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is [9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone
PubChem CID52942610
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C22H25ClN2O2/c23-20-8-6-18(7-9-20)16-24-12-10-22(11-13-24)17-25(14-15-27-22)21(26)19-4-2-1-3-5-19/h1-9H,10-17H2
InChIKeyKQSBDHSJXORWPF-UHFFFAOYSA-N
XLogP3.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Moclobemide
CID 4235
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
4-(2-Chlorobenzoyl)-morpholine
CID 225451
4-chloro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 2977748
[4-(4-Chloro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437817
[9-[(3-Chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone
CID 52942458
4-(3,4-Dichlorobenzoyl)morpholine
CID 346717
[1-(4-Chlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 2740738
N-(4-Chlorobenzoyl)morpholine
CID 225452
4-chloro-N-(3-methoxypropyl)-N-((3S)-1-(2-phenylethyl)piperidin-3-yl)benzamide
CID 23644580
(4-Chlorophenyl)[2-(4-morpholinylcarbonyl)phenyl]methanone
CID 781328
(3,4-Dichlorophenyl)[4-hydroxy-4-(morpholinomethyl)piperidino]methanone
CID 1489053

Frequently Asked Questions

What is the IUPAC name of [9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone?
The IUPAC name of [9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone (CID 52942610) is [9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone.
What is the SMILES notation for [9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone?
The canonical SMILES for [9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone is O=C(c1ccccc1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of [9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone?
The InChIKey is KQSBDHSJXORWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-20-8-6-18(7-9-20)16-24-12-10-22(11-13-24)17-25(14-15-27-22)21(26)19-4-2-1-3-5-19/h1-9H,10-17H2.
What are the key properties of [9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone?
[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone has a molecular weight of 384.91 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone is sourced from PubChem (CID 52942610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).