2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride

C14H18ClFN2O — CID 155852318

IUPAC2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
SMILESCl.O=C1N(Cc2cccc(F)c2)CCC12CCNC2
InChIInChI=1S/C14H17FN2O.ClH/c15-12-3-1-2-11(8-12)9-17-7-5-14(13(17)18)4-6-16-10-14;/h1-3,8,16H,4-7,9-10H2;1H
InChIKeyFZRRWUQETVPMLG-UHFFFAOYSA-N
MW284.76 g/mol
LogP1.96
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride

2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride (PubChem CID 155852318) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
PubChem CID155852318
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
SMILESCl.O=C1N(Cc2cccc(F)c2)CCC12CCNC2
InChIInChI=1S/C14H17FN2O.ClH/c15-12-3-1-2-11(8-12)9-17-7-5-14(13(17)18)4-6-16-10-14;/h1-3,8,16H,4-7,9-10H2;1H
InChIKeyFZRRWUQETVPMLG-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56900937
(5R)-2-[(3-fluorophenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451647
(5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 124823612
2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
CID 118741546
(5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97490448
(5R)-2-[(3-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373884
2-[(3-nitrophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one;hydrochloride
CID 45074374
2-[(3-bromophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 45074340
2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 117003122
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611
2-(3-fluorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074477
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride (CID 155852318) is 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride is Cl.O=C1N(Cc2cccc(F)c2)CCC12CCNC2.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride?
The InChIKey is FZRRWUQETVPMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O.ClH/c15-12-3-1-2-11(8-12)9-17-7-5-14(13(17)18)4-6-16-10-14;/h1-3,8,16H,4-7,9-10H2;1H.
What are the key properties of 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride?
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride has a molecular weight of 284.76 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride is sourced from PubChem (CID 155852318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).