9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride

C17H25ClN2O — CID 146064547

IUPAC9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride
SMILESCl.O=C1CCC2(CCNCC2)CCN1Cc1ccccc1
InChIInChI=1S/C17H24N2O.ClH/c20-16-6-7-17(8-11-18-12-9-17)10-13-19(16)14-15-4-2-1-3-5-15;/h1-5,18H,6-14H2;1H
InChIKeyAVCXHIQJJGVEPH-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.99
Rot. Bonds2

About 9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride

9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride (PubChem CID 146064547) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride.

Molecular Properties

Compound Name9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride
PubChem CID146064547
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride
SMILESCl.O=C1CCC2(CCNCC2)CCN1Cc1ccccc1
InChIInChI=1S/C17H24N2O.ClH/c20-16-6-7-17(8-11-18-12-9-17)10-13-19(16)14-15-4-2-1-3-5-15;/h1-5,18H,6-14H2;1H
InChIKeyAVCXHIQJJGVEPH-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95870066
2-benzyl-9-ethylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72929649
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
2-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70784663
(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,5'-azepane]-2',4-dione
CID 95792941
2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70740041
3-(benzenesulfonyl)-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 155843749
2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97127014
4-[(4-methylphenyl)methyl]-1,4-diazepan-5-one
CID 53409912
4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 46195333
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-5-one
CID 115100485

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride?
The IUPAC name of 9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride (CID 146064547) is 9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride.
What is the SMILES notation for 9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride?
The canonical SMILES for 9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride is Cl.O=C1CCC2(CCNCC2)CCN1Cc1ccccc1.
What is the InChIKey of 9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride?
The InChIKey is AVCXHIQJJGVEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c20-16-6-7-17(8-11-18-12-9-17)10-13-19(16)14-15-4-2-1-3-5-15;/h1-5,18H,6-14H2;1H.
What are the key properties of 9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride?
9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride is sourced from PubChem (CID 146064547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).