2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone

C18H26N4O — CID 97450501

IUPAC2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESO=C(CC1CC1)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C18H26N4O/c23-16(13-15-3-4-15)21-11-6-18(7-12-21)5-1-10-22(14-18)17-19-8-2-9-20-17/h2,8-9,15H,1,3-7,10-14H2
InChIKeyNXJQNIPSIPBCFR-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.49
Rot. Bonds3

About 2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone

2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 97450501) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID97450501
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESO=C(CC1CC1)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C18H26N4O/c23-16(13-15-3-4-15)21-11-6-18(7-12-21)5-1-10-22(14-18)17-19-8-2-9-20-17/h2,8-9,15H,1,3-7,10-14H2
InChIKeyNXJQNIPSIPBCFR-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Buspirone
CID 2477
Buspirone Hydrochloride
CID 36431
Gepirone
CID 55191
Gepirone monohydrochloride
CID 55190
Sunepitron
CID 183092
N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
8-[3-[4-(2-Pyrimidinyl)-1-piperazinyl]propyl]-8-azaspiro[4.5]decane-7,9-dione
CID 4713258
8-[2-(4-Pyrimidin-2-ylpiperazin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 21517011
Tert-butyl 4-(1-(pyrimidin-2-yl)piperidin-4-yl)piperidine-1-carboxylate
CID 54580903
Piperazine, 1-(2-acetyl-1-oxohexyl)-4-(2-pyrimidinyl)-
CID 3074862
2-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butyl]-2-azaspiro[4.5]decane-1,3-dione
CID 12840712
8-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.6]undecane-7,9-dione
CID 12840716

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 97450501) is 2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone is O=C(CC1CC1)N1CCC2(CCCN(c3ncccn3)C2)CC1.
What is the InChIKey of 2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is NXJQNIPSIPBCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c23-16(13-15-3-4-15)21-11-6-18(7-12-21)5-1-10-22(14-18)17-19-8-2-9-20-17/h2,8-9,15H,1,3-7,10-14H2.
What are the key properties of 2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 314.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 97450501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).