3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride

C19H30ClN3O — CID 120873763

IUPAC3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1.Cl
InChIInChI=1S/C19H29N3O.ClH/c1-16(20)13-18(23)22-11-8-19(9-12-22)7-10-21(15-19)14-17-5-3-2-4-6-17;/h2-6,16H,7-15,20H2,1H3;1H
InChIKeyZPEXYHIKMRRBSF-UHFFFAOYSA-N
MW351.92 g/mol
LogP2.66
Rot. Bonds4

About 3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride

3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride (PubChem CID 120873763) has the molecular formula C19H30ClN3O and a molecular weight of 351.92 g/mol. Its IUPAC name is 3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride
PubChem CID120873763
Molecular FormulaC19H30ClN3O
Molecular Weight351.92 g/mol
Exact Mass351.21
IUPAC Name3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1.Cl
InChIInChI=1S/C19H29N3O.ClH/c1-16(20)13-18(23)22-11-8-19(9-12-22)7-10-21(15-19)14-17-5-3-2-4-6-17;/h2-6,16H,7-15,20H2,1H3;1H
InChIKeyZPEXYHIKMRRBSF-UHFFFAOYSA-N
XLogP2.66
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one
CID 120873764
3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one
CID 119708809
2-benzyl-2,8-diazaspiro[4.5]decane-8-sulfonamide
CID 136518555
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
1-benzyl-3-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 159201320
1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 166650238
tert-butyl N-[2-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]carbamate
CID 130269222
3-amino-1-(4-benzyl-2-methylpiperazin-1-yl)butan-1-one
CID 119884612
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
CID 138035435
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
1-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
CID 138998010
2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid
CID 55071707

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride (CID 120873763) is 3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride is CC(N)CC(=O)N1CCC2(CCN(Cc3ccccc3)C2)CC1.Cl.
What is the InChIKey of 3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride?
The InChIKey is ZPEXYHIKMRRBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.ClH/c1-16(20)13-18(23)22-11-8-19(9-12-22)7-10-21(15-19)14-17-5-3-2-4-6-17;/h2-6,16H,7-15,20H2,1H3;1H.
What are the key properties of 3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride?
3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride has a molecular weight of 351.92 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 120873763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).