6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane

C24H31N3O — CID 157015180

IUPAC6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane
SMILESCOc1ccc(N2CC3(C2)CN(C2CCN(Cc4ccccc4)CC2)C3)cc1
InChIInChI=1S/C24H31N3O/c1-28-23-9-7-21(8-10-23)26-16-24(17-26)18-27(19-24)22-11-13-25(14-12-22)15-20-5-3-2-4-6-20/h2-10,22H,11-19H2,1H3
InChIKeyOQRBKDRPNGFLTI-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.48
Rot. Bonds5

About 6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane

6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane (PubChem CID 157015180) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane
PubChem CID157015180
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane
SMILESCOc1ccc(N2CC3(C2)CN(C2CCN(Cc4ccccc4)CC2)C3)cc1
InChIInChI=1S/C24H31N3O/c1-28-23-9-7-21(8-10-23)26-16-24(17-26)18-27(19-24)22-11-13-25(14-12-22)15-20-5-3-2-4-6-20/h2-10,22H,11-19H2,1H3
InChIKeyOQRBKDRPNGFLTI-UHFFFAOYSA-N
XLogP3.48
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane 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-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane
CID 172672745
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1317657
4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane
CID 155814589
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
1-[(2-methoxyphenyl)methyl]-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,4-diazepane;hydrochloride
CID 24736584
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane (CID 157015180) is 6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane is COc1ccc(N2CC3(C2)CN(C2CCN(Cc4ccccc4)CC2)C3)cc1.
What is the InChIKey of 6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is OQRBKDRPNGFLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-28-23-9-7-21(8-10-23)26-16-24(17-26)18-27(19-24)22-11-13-25(14-12-22)15-20-5-3-2-4-6-20/h2-10,22H,11-19H2,1H3.
What are the key properties of 6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane?
6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 377.53 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 157015180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).