(4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone

C27H27ClN2O2 — CID 69432700

IUPAC(4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)C2)C1
InChIInChI=1S/C27H27ClN2O2/c28-23-12-10-21(11-13-23)26(31)30-17-15-27(20-30)14-16-29(19-27)18-22-6-4-5-9-25(22)32-24-7-2-1-3-8-24/h1-13H,14-20H2
InChIKeyNKBDZFGRQCCUPH-UHFFFAOYSA-N
MW446.98 g/mol
LogP5.87
Rot. Bonds5

About (4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone

(4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone (PubChem CID 69432700) has the molecular formula C27H27ClN2O2 and a molecular weight of 446.98 g/mol. Its IUPAC name is (4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
PubChem CID69432700
Molecular FormulaC27H27ClN2O2
Molecular Weight446.98 g/mol
Exact Mass446.18
IUPAC Name(4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)C2)C1
InChIInChI=1S/C27H27ClN2O2/c28-23-12-10-21(11-13-23)26(31)30-17-15-27(20-30)14-16-29(19-27)18-22-6-4-5-9-25(22)32-24-7-2-1-3-8-24/h1-13H,14-20H2
InChIKeyNKBDZFGRQCCUPH-UHFFFAOYSA-N
XLogP5.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[8-[[2-(4-fluorophenoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 69426372
(4-chlorophenyl)-[2-[[2-[3-(trifluoromethyl)phenoxy]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 69426187
(4-chlorophenyl)-[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 69427957
2-[5-chloro-2-[9-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]phenyl]-3-[2-[9-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]phenyl]butanedioic acid
CID 91441558
[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-4-ylmethanone
CID 69429871
(4-methoxyphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 69437335
(4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 69429929
1-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233425
1-[4-[9-[(2-ethoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]phenyl]ethanone
CID 11235882
2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 69429885
naphthalen-2-yl-[9-[(2-phenylmethoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 69428050
(6-methoxynaphthalen-2-yl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 69428040

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone (CID 69432700) is (4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC2(CCN(Cc3ccccc3Oc3ccccc3)C2)C1.
What is the InChIKey of (4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The InChIKey is NKBDZFGRQCCUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O2/c28-23-12-10-21(11-13-23)26(31)30-17-15-27(20-30)14-16-29(19-27)18-22-6-4-5-9-25(22)32-24-7-2-1-3-8-24/h1-13H,14-20H2.
What are the key properties of (4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
(4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone has a molecular weight of 446.98 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[7-[(2-phenoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone is sourced from PubChem (CID 69432700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).