9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one

C20H32N4O2 — CID 72940511

IUPAC9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CCCC(=O)N1CCC2(CCC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C20H32N4O2/c1-16(2)24-15-20(7-6-19(24)26)8-12-23(13-9-20)18(25)5-4-11-22-14-10-21-17(22)3/h10,14,16H,4-9,11-13,15H2,1-3H3
InChIKeyYWQIHLFCXDPFKJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.61
Rot. Bonds5

About 9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one

9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72940511) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72940511
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CCCC(=O)N1CCC2(CCC(=O)N(C(C)C)C2)CC1
InChIInChI=1S/C20H32N4O2/c1-16(2)24-15-20(7-6-19(24)26)8-12-23(13-9-20)18(25)5-4-11-22-14-10-21-17(22)3/h10,14,16H,4-9,11-13,15H2,1-3H3
InChIKeyYWQIHLFCXDPFKJ-UHFFFAOYSA-N
XLogP2.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
3-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2,8-diazaspiro[4.5]decane
CID 56906160
2-(cyclopropylmethyl)-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707169
2-ethyl-9-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70777392
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72857947
8-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 72871968
2-[4-(1H-imidazol-1-yl)butanoyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 72873945
1-[(1-isopropyl-4-piperidinyl)acetyl]-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 72880762
2-(Cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72890498
1-(cyclopropylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72893576
1-(cyclopentylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72898854
1-(cyclopentylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72913891

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one (CID 72940511) is 9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one is Cc1nccn1CCCC(=O)N1CCC2(CCC(=O)N(C(C)C)C2)CC1.
What is the InChIKey of 9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is YWQIHLFCXDPFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-16(2)24-15-20(7-6-19(24)26)8-12-23(13-9-20)18(25)5-4-11-22-14-10-21-17(22)3/h10,14,16H,4-9,11-13,15H2,1-3H3.
What are the key properties of 9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.50 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-methylimidazol-1-yl)butanoyl]-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72940511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).