4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide

C24H31N3O — CID 72933715

IUPAC4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide
SMILESCN1CC(c2ccccc2)CC2(CCN(Cc3ccc(C(N)=O)cc3)CC2)C1
InChIInChI=1S/C24H31N3O/c1-26-17-22(20-5-3-2-4-6-20)15-24(18-26)11-13-27(14-12-24)16-19-7-9-21(10-8-19)23(25)28/h2-10,22H,11-18H2,1H3,(H2,25,28)
InChIKeyPCHDNJIYHJBNKZ-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.49
Rot. Bonds4

About 4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide

4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide (PubChem CID 72933715) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide
PubChem CID72933715
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide
SMILESCN1CC(c2ccccc2)CC2(CCN(Cc3ccc(C(N)=O)cc3)CC2)C1
InChIInChI=1S/C24H31N3O/c1-26-17-22(20-5-3-2-4-6-20)15-24(18-26)11-13-27(14-12-24)16-19-7-9-21(10-8-19)23(25)28/h2-10,22H,11-18H2,1H3,(H2,25,28)
InChIKeyPCHDNJIYHJBNKZ-UHFFFAOYSA-N
XLogP3.49
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 97153293
5-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97148905
5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 72924688
3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97157011
3-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 72941270
(4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97150369
4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
CID 97113099
1-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylsulfanylethanone
CID 72868702
3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine
CID 97147788
2-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 72837273
2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 72928821
[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97453778

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide?
The IUPAC name of 4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide (CID 72933715) is 4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide.
What is the SMILES notation for 4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide?
The canonical SMILES for 4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide is CN1CC(c2ccccc2)CC2(CCN(Cc3ccc(C(N)=O)cc3)CC2)C1.
What is the InChIKey of 4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide?
The InChIKey is PCHDNJIYHJBNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-26-17-22(20-5-3-2-4-6-20)15-24(18-26)11-13-27(14-12-24)16-19-7-9-21(10-8-19)23(25)28/h2-10,22H,11-18H2,1H3,(H2,25,28).
What are the key properties of 4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide?
4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide has a molecular weight of 377.53 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide is sourced from PubChem (CID 72933715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).