1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride

C16H29ClN2O — CID 23109359

IUPAC1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride
SMILESCCCCN1C(=O)C(CC(C)C)=CC12CCNCC2.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-4-5-10-18-15(19)14(11-13(2)3)12-16(18)6-8-17-9-7-16;/h12-13,17H,4-11H2,1-3H3;1H
InChIKeyPJGPVFDQSKFYES-UHFFFAOYSA-N
MW300.87 g/mol
LogP3.15
Rot. Bonds5

About 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride

1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride (PubChem CID 23109359) has the molecular formula C16H29ClN2O and a molecular weight of 300.87 g/mol. Its IUPAC name is 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride.

Molecular Properties

Compound Name1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride
PubChem CID23109359
Molecular FormulaC16H29ClN2O
Molecular Weight300.87 g/mol
Exact Mass300.20
IUPAC Name1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride
SMILESCCCCN1C(=O)C(CC(C)C)=CC12CCNCC2.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-4-5-10-18-15(19)14(11-13(2)3)12-16(18)6-8-17-9-7-16;/h12-13,17H,4-11H2,1-3H3;1H
InChIKeyPJGPVFDQSKFYES-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.87
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 16190945
3-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-N-cyclopropylpropanamide
CID 25446369
N-ethyl-1-(2-methylpent-2-enoyl)piperidine-4-carboxamide
CID 72155674
1-[(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]piperidine
CID 4053223
N-(cyclopropylmethyl)-1-[(Z)-2-methylpent-2-enoyl]piperidine-3-carboxamide
CID 47043971
1-Butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 23109360
3-methyl-5-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyridin-6-one
CID 123704288
(3Z)-3-(cyclopentylmethylidene)piperidin-2-one
CID 124159550
3-(Cyclopentylmethylidene)piperidin-2-one
CID 145215694
(3E)-3-(cyclopentylmethylidene)piperidin-2-one
CID 145215709
1-Ethyl-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 150609827
N,4,6-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 154951360

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride?
The IUPAC name of 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride (CID 23109359) is 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride.
What is the SMILES notation for 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride?
The canonical SMILES for 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride is CCCCN1C(=O)C(CC(C)C)=CC12CCNCC2.Cl.
What is the InChIKey of 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride?
The InChIKey is PJGPVFDQSKFYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O.ClH/c1-4-5-10-18-15(19)14(11-13(2)3)12-16(18)6-8-17-9-7-16;/h12-13,17H,4-11H2,1-3H3;1H.
What are the key properties of 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride?
1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride has a molecular weight of 300.87 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride is sourced from PubChem (CID 23109359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).