4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide

C34H40N4O3 — CID 175897090

IUPAC4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N2CCN(C3CC4(C3)CN(c3ccc(C(N)=O)cc3)C4)[C@H](c3ccccc3C(C)C)C2)cc1
InChIInChI=1S/C34H40N4O3/c1-23(2)29-6-4-5-7-30(29)31-20-36(33(40)25-10-14-28(41-3)15-11-25)16-17-38(31)27-18-34(19-27)21-37(22-34)26-12-8-24(9-13-26)32(35)39/h4-15,23,27,31H,16-22H2,1-3H3,(H2,35,39)/t31-/m0/s1
InChIKeyPQTVFTCQGRCMHI-HKBQPEDESA-N
MW552.72 g/mol
LogP5.09
Rot. Bonds7

About 4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide

4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide (PubChem CID 175897090) has the molecular formula C34H40N4O3 and a molecular weight of 552.72 g/mol. Its IUPAC name is 4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide.

Molecular Properties

Compound Name4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide
PubChem CID175897090
Molecular FormulaC34H40N4O3
Molecular Weight552.72 g/mol
Exact Mass552.31
IUPAC Name4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N2CCN(C3CC4(C3)CN(c3ccc(C(N)=O)cc3)C4)[C@H](c3ccccc3C(C)C)C2)cc1
InChIInChI=1S/C34H40N4O3/c1-23(2)29-6-4-5-7-30(29)31-20-36(33(40)25-10-14-28(41-3)15-11-25)16-17-38(31)27-18-34(19-27)21-37(22-34)26-12-8-24(9-13-26)32(35)39/h4-15,23,27,31H,16-22H2,1-3H3,(H2,35,39)/t31-/m0/s1
InChIKeyPQTVFTCQGRCMHI-HKBQPEDESA-N
XLogP5.09
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]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

4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
CID 166492066
2-[4-[1-(4-methoxyphenyl)ethenyl]-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane
CID 166800042
4-[2-[(2S)-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
CID 155600832
4-[6,6,8,8-tetradeuterio-2-[(2S)-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
CID 175787499
2-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-N-[4-[(4-hydroxy-4-methylcyclohexyl)methylamino]-3-nitrophenyl]sulfonyl-4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide
CID 168755347
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
4-[2-[(2R)-2-(2-methylphenyl)-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
CID 175908256
2-[4-[(3-methoxyphenyl)methyl]-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane
CID 166491960
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(4-methoxyphenyl)methanone
CID 56890390

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide?
The IUPAC name of 4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide (CID 175897090) is 4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide.
What is the SMILES notation for 4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide?
The canonical SMILES for 4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide is COc1ccc(C(=O)N2CCN(C3CC4(C3)CN(c3ccc(C(N)=O)cc3)C4)[C@H](c3ccccc3C(C)C)C2)cc1.
What is the InChIKey of 4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide?
The InChIKey is PQTVFTCQGRCMHI-HKBQPEDESA-N. The full InChI is InChI=1S/C34H40N4O3/c1-23(2)29-6-4-5-7-30(29)31-20-36(33(40)25-10-14-28(41-3)15-11-25)16-17-38(31)27-18-34(19-27)21-37(22-34)26-12-8-24(9-13-26)32(35)39/h4-15,23,27,31H,16-22H2,1-3H3,(H2,35,39)/t31-/m0/s1.
What are the key properties of 4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide?
4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide has a molecular weight of 552.72 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2R)-4-(4-methoxybenzoyl)-2-(2-propan-2-ylphenyl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]benzamide is sourced from PubChem (CID 175897090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).