[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone

C20H32N2O2 — CID 97080385

IUPAC[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC[C@@H](C(=O)N2CCC3(CCCCC3)CC2)C1
InChIInChI=1S/C20H32N2O2/c23-18(16-6-7-16)22-12-4-5-17(15-22)19(24)21-13-10-20(11-14-21)8-2-1-3-9-20/h16-17H,1-15H2/t17-/m1/s1
InChIKeyDYBJNMYYEUTVHW-QGZVFWFLSA-N
MW332.49 g/mol
LogP3.21
Rot. Bonds2

About [(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone

[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone (PubChem CID 97080385) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is [(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone
PubChem CID97080385
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC[C@@H](C(=O)N2CCC3(CCCCC3)CC2)C1
InChIInChI=1S/C20H32N2O2/c23-18(16-6-7-16)22-12-4-5-17(15-22)19(24)21-13-10-20(11-14-21)8-2-1-3-9-20/h16-17H,1-15H2/t17-/m1/s1
InChIKeyDYBJNMYYEUTVHW-QGZVFWFLSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-[[3-(diethylcarbamoyl)piperidin-1-yl]methyl]cyclohexyl]methyl]-N,N-diethylpiperidine-3-carboxamide
CID 10457712
N-cyclohexyl-1'-(cyclopropylcarbonyl)-N-methyl-1,4'-bipiperidine-3-carboxamide
CID 45207050
7-(Cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45209323
1-[3-[2-[1-(Cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 68633970
1-[4-[3-[1-[3-[3-[Tert-butyl(methyl)amino]propyl-methylamino]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 144715825
1-[5,5-Dimethyl-1-(1-methylpiperidine-4-carbonyl)piperidin-3-yl]-2-methylpropan-1-one
CID 168881913
1-[9-(2-Pentyloctyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 169679652
1-[9-(2-Ethyloctyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpentan-1-one
CID 169679929
1-[9-(4-Butyldecyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-ethylpentan-1-one
CID 169819618
1-[9-(4-Butylnonyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methylpentan-1-one
CID 169935958
2,2-Dimethyl-1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethyl]piperidin-1-yl]propan-1-one
CID 172096490
2,2-Dimethyl-1-[4-[3-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]propyl]piperidin-1-yl]propan-1-one
CID 172096605

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone (CID 97080385) is [(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCC3(CCCCC3)CC2)C1.
What is the InChIKey of [(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is DYBJNMYYEUTVHW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H32N2O2/c23-18(16-6-7-16)22-12-4-5-17(15-22)19(24)21-13-10-20(11-14-21)8-2-1-3-9-20/h16-17H,1-15H2/t17-/m1/s1.
What are the key properties of [(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone?
[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 332.49 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 97080385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).