2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H30N4O2 — CID 72930944

IUPAC2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CC2(CCC1=O)CCN(CCCn1ccnc1)CC2
InChIInChI=1S/C18H30N4O2/c1-16(23)13-22-14-18(4-3-17(22)24)5-10-20(11-6-18)8-2-9-21-12-7-19-15-21/h7,12,15-16,23H,2-6,8-11,13-14H2,1H3
InChIKeyCSAHNDPAPGJDHM-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.36
Rot. Bonds6

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

2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72930944) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72930944
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(O)CN1CC2(CCC1=O)CCN(CCCn1ccnc1)CC2
InChIInChI=1S/C18H30N4O2/c1-16(23)13-22-14-18(4-3-17(22)24)5-10-20(11-6-18)8-2-9-21-12-7-19-15-21/h7,12,15-16,23H,2-6,8-11,13-14H2,1H3
InChIKeyCSAHNDPAPGJDHM-UHFFFAOYSA-N
XLogP1.36
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethyl)-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707169
2-ethyl-9-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70777392
(1-methyl-1H-imidazol-2-yl){1-[(1-propyl-4-piperidinyl)acetyl]-4-piperidinyl}methanol
CID 72849022
{1-[(1-isopropyl-4-piperidinyl)acetyl]-4-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanol
CID 72890404
2-(Cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72890498
2-[3-(Dimethylamino)pyrazin-2-YL]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72905062
2-isopropyl-9-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72940511
2-(2-hydroxypropyl)-9-[(1-methyl-1H-imidazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72847828
2-allyl-9-[3-(2-methyl-1H-imidazol-1-yl)butanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72858082
2-[3-(1H-imidazol-1-yl)propyl]-9-[(2-oxo-1,3-oxazolidin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72887862
9-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]-2-(tetrahydrofuran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72896634
9-(1H-imidazol-1-ylacetyl)-2-(1-methyl-3-pyrrolidinyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72900942

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72930944) is 2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one is CC(O)CN1CC2(CCC1=O)CCN(CCCn1ccnc1)CC2.
What is the InChIKey of 2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CSAHNDPAPGJDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-16(23)13-22-14-18(4-3-17(22)24)5-10-20(11-6-18)8-2-9-21-12-7-19-15-21/h7,12,15-16,23H,2-6,8-11,13-14H2,1H3.
What are the key properties of 2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 334.46 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-9-(3-imidazol-1-ylpropyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72930944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).