(1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone

C27H34N2O — CID 151183103

IUPAC(1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(N1CCC2(CCNC[C@H]2c2ccccc2)CC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C27H34N2O/c30-25(27(13-7-8-14-27)23-11-5-2-6-12-23)29-19-16-26(17-20-29)15-18-28-21-24(26)22-9-3-1-4-10-22/h1-6,9-12,24,28H,7-8,13-21H2/t24-/m0/s1
InChIKeyNESKDDBRIBKGBG-DEOSSOPVSA-N
MW402.58 g/mol
LogP4.88
Rot. Bonds3

About (1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone

(1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 151183103) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is (1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Name(1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID151183103
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC Name(1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(N1CCC2(CCNC[C@H]2c2ccccc2)CC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C27H34N2O/c30-25(27(13-7-8-14-27)23-11-5-2-6-12-23)29-19-16-26(17-20-29)15-18-28-21-24(26)22-9-3-1-4-10-22/h1-6,9-12,24,28H,7-8,13-21H2/t24-/m0/s1
InChIKeyNESKDDBRIBKGBG-DEOSSOPVSA-N
XLogP4.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
5-(4-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 132772424
2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone
CID 82038165
(5R)-9-[1-(3-bromophenyl)cyclopentanecarbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
CID 151941208
5-(3,4-difluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150822138
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
CID 107220719
1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 39581896
1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46950624
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735
(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of (1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 151183103) is (1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for (1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for (1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone is O=C(N1CCC2(CCNC[C@H]2c2ccccc2)CC1)C1(c2ccccc2)CCCC1.
What is the InChIKey of (1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is NESKDDBRIBKGBG-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H34N2O/c30-25(27(13-7-8-14-27)23-11-5-2-6-12-23)29-19-16-26(17-20-29)15-18-28-21-24(26)22-9-3-1-4-10-22/h1-6,9-12,24,28H,7-8,13-21H2/t24-/m0/s1.
What are the key properties of (1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
(1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 402.58 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopentyl)-[(11R)-11-phenyl-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 151183103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).