[9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone

C32H32N2O — CID 171347516

IUPAC[9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCCC12CCCN(Cc1ccc3ccccc3c1)C2
InChIInChI=1S/C32H32N2O/c35-31(29-16-14-28(15-17-29)26-8-2-1-3-9-26)34-21-7-19-32(34)18-6-20-33(24-32)23-25-12-13-27-10-4-5-11-30(27)22-25/h1-5,8-17,22H,6-7,18-21,23-24H2
InChIKeyKKEDDJXZTAMVAC-UHFFFAOYSA-N
MW460.62 g/mol
LogP6.78
Rot. Bonds4

About [9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone

[9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone (PubChem CID 171347516) has the molecular formula C32H32N2O and a molecular weight of 460.62 g/mol. Its IUPAC name is [9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone
PubChem CID171347516
Molecular FormulaC32H32N2O
Molecular Weight460.62 g/mol
Exact Mass460.25
IUPAC Name[9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCCC12CCCN(Cc1ccc3ccccc3c1)C2
InChIInChI=1S/C32H32N2O/c35-31(29-16-14-28(15-17-29)26-8-2-1-3-9-26)34-21-7-19-32(34)18-6-20-33(24-32)23-25-12-13-27-10-4-5-11-30(27)22-25/h1-5,8-17,22H,6-7,18-21,23-24H2
InChIKeyKKEDDJXZTAMVAC-UHFFFAOYSA-N
XLogP6.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone with MolForge

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Related Compounds

1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol
CID 19424718
[(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone
CID 97393382
(3S)-1-benzyl-3-(4-phenylphenoxy)piperidine-3-carboxylic acid
CID 124584164
(5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26333138
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
CID 19771944
9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635147
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744
1-(naphthalen-2-ylmethyl)-4-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 68637536
4-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034615
2-[3-methyl-1-(naphthalen-2-ylmethyl)azetidin-3-yl]oxyacetic acid
CID 102659870
cyclopropyl-[4-(naphthalen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 165434097
[1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 70783462

Frequently Asked Questions

What is the IUPAC name of [9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone (CID 171347516) is [9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCCC12CCCN(Cc1ccc3ccccc3c1)C2.
What is the InChIKey of [9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is KKEDDJXZTAMVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O/c35-31(29-16-14-28(15-17-29)26-8-2-1-3-9-26)34-21-7-19-32(34)18-6-20-33(24-32)23-25-12-13-27-10-4-5-11-30(27)22-25/h1-5,8-17,22H,6-7,18-21,23-24H2.
What are the key properties of [9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone?
[9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 460.62 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 171347516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).