(6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone

C26H26ClN3O2 — CID 91341169

IUPAC(6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCC2(CC1)CN(Cc1ccccc1-c1ccccc1)CO2
InChIInChI=1S/C26H26ClN3O2/c27-24-11-10-21(16-28-24)25(31)30-14-12-26(13-15-30)18-29(19-32-26)17-22-8-4-5-9-23(22)20-6-2-1-3-7-20/h1-11,16H,12-15,17-19H2
InChIKeyMNXNVMRNOBMBTD-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.87
Rot. Bonds4

About (6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone

(6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 91341169) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID91341169
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name(6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCC2(CC1)CN(Cc1ccccc1-c1ccccc1)CO2
InChIInChI=1S/C26H26ClN3O2/c27-24-11-10-21(16-28-24)25(31)30-14-12-26(13-15-30)18-29(19-32-26)17-22-8-4-5-9-23(22)20-6-2-1-3-7-20/h1-11,16H,12-15,17-19H2
InChIKeyMNXNVMRNOBMBTD-UHFFFAOYSA-N
XLogP4.87
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone
CID 134799669
1'-(6-chloropyridine-3-carbonyl)-5-phenylspiro[3H-1,5-benzoxazepine-2,4'-piperidine]-4-one
CID 134792424
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26756608
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone
CID 71968472
1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 131943319
(6-chloro-3-pyridinyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 131069080
1-(6-chloropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63134102
8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60709573
(6-chloro-3-pyridinyl)-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methanone
CID 134062230
(6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150688
[4-(furan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyridazin-4-ylmethanone
CID 97450771
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26757204

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone (CID 91341169) is (6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone is O=C(c1ccc(Cl)nc1)N1CCC2(CC1)CN(Cc1ccccc1-c1ccccc1)CO2.
What is the InChIKey of (6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is MNXNVMRNOBMBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c27-24-11-10-21(16-28-24)25(31)30-14-12-26(13-15-30)18-29(19-32-26)17-22-8-4-5-9-23(22)20-6-2-1-3-7-20/h1-11,16H,12-15,17-19H2.
What are the key properties of (6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone?
(6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 447.97 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-[3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 91341169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).