2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H30N4O2 — CID 72890498

IUPAC2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CCC(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C20H30N4O2/c1-16-21-9-13-22(16)10-5-19(26)23-11-7-20(8-12-23)6-4-18(25)24(15-20)14-17-2-3-17/h9,13,17H,2-8,10-12,14-15H2,1H3
InChIKeyINMOCQKBCQJSAJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.22
Rot. Bonds5

About 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72890498) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72890498
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CCC(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C20H30N4O2/c1-16-21-9-13-22(16)10-5-19(26)23-11-7-20(8-12-23)6-4-18(25)24(15-20)14-17-2-3-17/h9,13,17H,2-8,10-12,14-15H2,1H3
InChIKeyINMOCQKBCQJSAJ-UHFFFAOYSA-N
XLogP2.22
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72890498) is 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1nccn1CCC(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is INMOCQKBCQJSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-16-21-9-13-22(16)10-5-19(26)23-11-7-20(8-12-23)6-4-18(25)24(15-20)14-17-2-3-17/h9,13,17H,2-8,10-12,14-15H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.49 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72890498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).