1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone

C21H28N6O — CID 97208119

IUPAC1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2
InChIInChI=1S/C21H28N6O/c28-20(14-27-16-22-23-24-27)25-10-8-21(9-11-25)12-18(17-4-2-1-3-5-17)13-26(15-21)19-6-7-19/h1-5,16,18-19H,6-15H2/t18-/m0/s1
InChIKeyZHMFKUVYZAZLIE-SFHVURJKSA-N
MW380.50 g/mol
LogP1.93
Rot. Bonds4

About 1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone

1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 97208119) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID97208119
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2
InChIInChI=1S/C21H28N6O/c28-20(14-27-16-22-23-24-27)25-10-8-21(9-11-25)12-18(17-4-2-1-3-5-17)13-26(15-21)19-6-7-19/h1-5,16,18-19H,6-15H2/t18-/m0/s1
InChIKeyZHMFKUVYZAZLIE-SFHVURJKSA-N
XLogP1.93
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(dimethylamino)ethanone
CID 97202268
2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide
CID 72841925
3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid
CID 97199559
[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 97200921
4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119164517
(4S)-2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97190011
3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-ol
CID 97202997
(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97206608
1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 70729161
3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-ethyl-1,2,4-oxadiazole
CID 72841457
1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-(tetrazol-1-yl)ethanone
CID 155998674
1-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylsulfanylethanone
CID 72868702

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone (CID 97208119) is 1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2.
What is the InChIKey of 1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is ZHMFKUVYZAZLIE-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N6O/c28-20(14-27-16-22-23-24-27)25-10-8-21(9-11-25)12-18(17-4-2-1-3-5-17)13-26(15-21)19-6-7-19/h1-5,16,18-19H,6-15H2/t18-/m0/s1.
What are the key properties of 1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone?
1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 380.50 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 97208119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).