2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C17H29N3O3 — CID 72926553

IUPAC2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CC2(CCC1=O)CCN(C(=O)N1CCCC1)CC2
InChIInChI=1S/C17H29N3O3/c1-14(21)12-20-13-17(5-4-15(20)22)6-10-19(11-7-17)16(23)18-8-2-3-9-18/h14,21H,2-13H2,1H3
InChIKeyKWTQNHCJVYHGCX-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.29
Rot. Bonds2

About 2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72926553) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72926553
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CC2(CCC1=O)CCN(C(=O)N1CCCC1)CC2
InChIInChI=1S/C17H29N3O3/c1-14(21)12-20-13-17(5-4-15(20)22)6-10-19(11-7-17)16(23)18-8-2-3-9-18/h14,21H,2-13H2,1H3
InChIKeyKWTQNHCJVYHGCX-UHFFFAOYSA-N
XLogP1.29
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxypropyl)-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72848200
4-[2-[(2R)-2-hydroxypropyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carbonyl]benzonitrile
CID 97128200
9-[2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetyl]-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 136803217
9-(5,6-dimethylpyrimidin-4-yl)-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97116547
9-[(3-chloro-2-fluorophenyl)methyl]-2-[(2R)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97148997
2-(2-hydroxypropyl)-9-(1H-imidazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70705038
2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97149071
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-[(2R)-2-hydroxypropyl]-5,5-dimethylazepan-2-one
CID 103935407
1-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 72933840
2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131686040
2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370175

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72926553) is 2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CC(O)CN1CC2(CCC1=O)CCN(C(=O)N1CCCC1)CC2.
What is the InChIKey of 2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KWTQNHCJVYHGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-14(21)12-20-13-17(5-4-15(20)22)6-10-19(11-7-17)16(23)18-8-2-3-9-18/h14,21H,2-13H2,1H3.
What are the key properties of 2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 323.44 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72926553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).