cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C17H28N2O — CID 42286380

IUPACcyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CCC1)N1CC[C@]2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C17H28N2O/c20-16(15-3-1-4-15)19-10-8-17(13-19)7-2-9-18(12-17)11-14-5-6-14/h14-15H,1-13H2/t17-/m0/s1
InChIKeyPNYXRRZXRMIPBH-KRWDZBQOSA-N
MW276.42 g/mol
LogP2.51
Rot. Bonds3

About cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 42286380) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID42286380
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Namecyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(C1CCC1)N1CC[C@]2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C17H28N2O/c20-16(15-3-1-4-15)19-10-8-17(13-19)7-2-9-18(12-17)11-14-5-6-14/h14-15H,1-13H2/t17-/m0/s1
InChIKeyPNYXRRZXRMIPBH-KRWDZBQOSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(Cyclopropylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370172
Cyclobutyl-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97493575
(5S)-2-(cyclopentanecarbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42384848
(5S)-7-(cyclobutylmethyl)-2-pent-2-ynyl-2,7-diazaspiro[4.5]decan-6-one
CID 97125303
(1-Cyclobutylcyclobutyl)-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 128637908
(5S)-7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42112800
(5R)-7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42112808
7-(Cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45169368
7-(Cyclobutylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45597994
(3-Fluorocyclobutyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone
CID 129547121
(1-Fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone
CID 131681901
[1-(Cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone
CID 131684507

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 42286380) is cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is O=C(C1CCC1)N1CC[C@]2(CCCN(CC3CC3)C2)C1.
What is the InChIKey of cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is PNYXRRZXRMIPBH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N2O/c20-16(15-3-1-4-15)19-10-8-17(13-19)7-2-9-18(12-17)11-14-5-6-14/h14-15H,1-13H2/t17-/m0/s1.
What are the key properties of cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 276.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 42286380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).