1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one

C23H35N3O2 — CID 56750982

IUPAC1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
SMILESCN1CCN(CC2CCOC2)CC12CCN(C(=O)CCc1ccccc1)CC2
InChIInChI=1S/C23H35N3O2/c1-24-14-15-25(17-21-9-16-28-18-21)19-23(24)10-12-26(13-11-23)22(27)8-7-20-5-3-2-4-6-20/h2-6,21H,7-19H2,1H3
InChIKeyDBKVUCIRBGFSOJ-UHFFFAOYSA-N
MW385.55 g/mol
LogP2.26
Rot. Bonds5

About 1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one

1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one (PubChem CID 56750982) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
PubChem CID56750982
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
SMILESCN1CCN(CC2CCOC2)CC12CCN(C(=O)CCc1ccccc1)CC2
InChIInChI=1S/C23H35N3O2/c1-24-14-15-25(17-21-9-16-28-18-21)19-23(24)10-12-26(13-11-23)22(27)8-7-20-5-3-2-4-6-20/h2-6,21H,7-19H2,1H3
InChIKeyDBKVUCIRBGFSOJ-UHFFFAOYSA-N
XLogP2.26
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-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

1-[1-methyl-4-[[(3S)-oxolan-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 95195325
2-methoxy-1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]ethanone
CID 56742423
1-(4-benzylpiperidin-1-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]propan-1-one
CID 45242177
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid
CID 56879985
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate
CID 71858020
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 55845373
(6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152905
1-[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
CID 97418632
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
CID 97272698
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one (CID 56750982) is 1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one is CN1CCN(CC2CCOC2)CC12CCN(C(=O)CCc1ccccc1)CC2.
What is the InChIKey of 1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one?
The InChIKey is DBKVUCIRBGFSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-24-14-15-25(17-21-9-16-28-18-21)19-23(24)10-12-26(13-11-23)22(27)8-7-20-5-3-2-4-6-20/h2-6,21H,7-19H2,1H3.
What are the key properties of 1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one?
1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one has a molecular weight of 385.55 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 56750982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).