1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one

C23H32N4O — CID 70767519

IUPAC1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one
SMILESO=C(CCCn1ccnc1)N1CCCC2(CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C23H32N4O/c28-22(9-4-13-25-16-12-24-20-25)27-15-6-11-23(19-27)10-5-14-26(18-23)17-21-7-2-1-3-8-21/h1-3,7-8,12,16,20H,4-6,9-11,13-15,17-19H2
InChIKeyKNWQXOONRIUOLZ-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.57
Rot. Bonds6

About 1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one

1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one (PubChem CID 70767519) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one
PubChem CID70767519
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one
SMILESO=C(CCCn1ccnc1)N1CCCC2(CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C23H32N4O/c28-22(9-4-13-25-16-12-24-20-25)27-15-6-11-23(19-27)10-5-14-26(18-23)17-21-7-2-1-3-8-21/h1-3,7-8,12,16,20H,4-6,9-11,13-15,17-19H2
InChIKeyKNWQXOONRIUOLZ-UHFFFAOYSA-N
XLogP3.57
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-2-(triazol-1-yl)ethanone
CID 119073733
(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95885755
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 86848942
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587
[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone
CID 98287421
1-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(tetrazol-1-yl)propan-1-one
CID 45196357
1-[1'-(pyridin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]butan-1-one
CID 134787226
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70732876
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
(5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97125136

Frequently Asked Questions

What is the IUPAC name of 1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one?
The IUPAC name of 1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one (CID 70767519) is 1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one.
What is the SMILES notation for 1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one?
The canonical SMILES for 1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one is O=C(CCCn1ccnc1)N1CCCC2(CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one?
The InChIKey is KNWQXOONRIUOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c28-22(9-4-13-25-16-12-24-20-25)27-15-6-11-23(19-27)10-5-14-26(18-23)17-21-7-2-1-3-8-21/h1-3,7-8,12,16,20H,4-6,9-11,13-15,17-19H2.
What are the key properties of 1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one?
1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one has a molecular weight of 380.54 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-4-imidazol-1-ylbutan-1-one is sourced from PubChem (CID 70767519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).