2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

C17H29N3O2 — CID 97370175

IUPAC2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CN1CCC2(CCN(C(=O)N3CCCC3)CC2)C1=O
InChIInChI=1S/C17H29N3O2/c1-14(2)13-20-12-7-17(15(20)21)5-10-19(11-6-17)16(22)18-8-3-4-9-18/h14H,3-13H2,1-2H3
InChIKeyWJVUVKLYUQCKFD-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.17
Rot. Bonds2

About 2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370175) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370175
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CN1CCC2(CCN(C(=O)N3CCCC3)CC2)C1=O
InChIInChI=1S/C17H29N3O2/c1-14(2)13-20-12-7-17(15(20)21)5-10-19(11-6-17)16(22)18-8-3-4-9-18/h14H,3-13H2,1-2H3
InChIKeyWJVUVKLYUQCKFD-UHFFFAOYSA-N
XLogP2.17
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-fluorobenzoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449711
3-methyl-13-(2-methylpropyl)-9-(pyrrolidine-1-carbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 155877552
3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one
CID 21018613
[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 70534208
8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449706
2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926553
2-ethyl-2-azaspiro[4.4]nonan-1-one
CID 142262093
N,N-dimethyl-1-oxo-2-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 97370234
2-(2-methylpropyl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155834844
9-(2-methoxyacetyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131652556
2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one
CID 91234378
(5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897572

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97370175) is 2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is CC(C)CN1CCC2(CCN(C(=O)N3CCCC3)CC2)C1=O.
What is the InChIKey of 2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is WJVUVKLYUQCKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-14(2)13-20-12-7-17(15(20)21)5-10-19(11-6-17)16(22)18-8-3-4-9-18/h14H,3-13H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 307.44 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).