4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide

C25H31N3O2 — CID 155618894

IUPAC4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide
SMILESNC(=O)c1ccc(CCCN2CC3(CC(N(O)C4CC4c4ccccc4)C3)C2)cc1
InChIInChI=1S/C25H31N3O2/c26-24(29)20-10-8-18(9-11-20)5-4-12-27-16-25(17-27)14-21(15-25)28(30)23-13-22(23)19-6-2-1-3-7-19/h1-3,6-11,21-23,30H,4-5,12-17H2,(H2,26,29)
InChIKeyYIWXMXHHAYRGLS-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.43
Rot. Bonds8

About 4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide

4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide (PubChem CID 155618894) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide
PubChem CID155618894
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide
SMILESNC(=O)c1ccc(CCCN2CC3(CC(N(O)C4CC4c4ccccc4)C3)C2)cc1
InChIInChI=1S/C25H31N3O2/c26-24(29)20-10-8-18(9-11-20)5-4-12-27-16-25(17-27)14-21(15-25)28(30)23-13-22(23)19-6-2-1-3-7-19/h1-3,6-11,21-23,30H,4-5,12-17H2,(H2,26,29)
InChIKeyYIWXMXHHAYRGLS-UHFFFAOYSA-N
XLogP3.43
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide 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

methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate
CID 19847766
4-(2-phenylethyl)benzamide
CID 23130460
4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide
CID 72933715
4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 97153293
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
CID 162640822
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
(3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol
CID 133113656
4-[(3S)-3-[(2S)-2-phenylaziridin-1-yl]butyl]benzamide
CID 54436062
4-[[3-[[(2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzamide
CID 163704417
4-octylbenzamide;hydrochloride
CID 131740255
ethyl 4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]benzoate
CID 11989461

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide?
The IUPAC name of 4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide (CID 155618894) is 4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide.
What is the SMILES notation for 4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide?
The canonical SMILES for 4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide is NC(=O)c1ccc(CCCN2CC3(CC(N(O)C4CC4c4ccccc4)C3)C2)cc1.
What is the InChIKey of 4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide?
The InChIKey is YIWXMXHHAYRGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c26-24(29)20-10-8-18(9-11-20)5-4-12-27-16-25(17-27)14-21(15-25)28(30)23-13-22(23)19-6-2-1-3-7-19/h1-3,6-11,21-23,30H,4-5,12-17H2,(H2,26,29).
What are the key properties of 4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide?
4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide has a molecular weight of 405.54 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[hydroxy-(2-phenylcyclopropyl)amino]-2-azaspiro[3.3]heptan-2-yl]propyl]benzamide is sourced from PubChem (CID 155618894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).