(5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C19H33N3O — CID 25313167

IUPAC(5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)CC1
InChIInChI=1S/C19H33N3O/c1-20-11-6-17(7-12-20)22-13-9-19(15-22)8-3-10-21(18(19)23)14-16-4-2-5-16/h16-17H,2-15H2,1H3/t19-/m0/s1
InChIKeySOUVBDCCKYFIKY-IBGZPJMESA-N
MW319.49 g/mol
LogP2.20
Rot. Bonds3

About (5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25313167) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25313167
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name(5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)CC1
InChIInChI=1S/C19H33N3O/c1-20-11-6-17(7-12-20)22-13-9-19(15-22)8-3-10-21(18(19)23)14-16-4-2-5-16/h16-17H,2-15H2,1H3/t19-/m0/s1
InChIKeySOUVBDCCKYFIKY-IBGZPJMESA-N
XLogP2.20
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 42556979
(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195518
2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45252934
(5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405993
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
(5R)-7-(cyclobutylmethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97142207
(5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97147308
(5S)-7-(cyclohexylmethyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 42508379
2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclohexyl-N-methylacetamide
CID 72866271
(5R)-2-cyclobutyl-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42526301
7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 72858775
(5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97118141

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 25313167) is (5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is CN1CCC(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)CC1.
What is the InChIKey of (5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SOUVBDCCKYFIKY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H33N3O/c1-20-11-6-17(7-12-20)22-13-9-19(15-22)8-3-10-21(18(19)23)14-16-4-2-5-16/h16-17H,2-15H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 319.49 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25313167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).