1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea

C25H34N4O2 — CID 118149992

IUPAC1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccccc1N1CC2(CCN(CC(C)C)CC2)c2c(C)ccc(O)c21
InChIInChI=1S/C25H34N4O2/c1-17(2)15-28-13-11-25(12-14-28)16-29(23-21(30)10-9-18(3)22(23)25)20-8-6-5-7-19(20)27-24(31)26-4/h5-10,17,30H,11-16H2,1-4H3,(H2,26,27,31)
InChIKeyYQOZKISBWOWOJD-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.59
Rot. Bonds4

About 1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea

1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea (PubChem CID 118149992) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea
PubChem CID118149992
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccccc1N1CC2(CCN(CC(C)C)CC2)c2c(C)ccc(O)c21
InChIInChI=1S/C25H34N4O2/c1-17(2)15-28-13-11-25(12-14-28)16-29(23-21(30)10-9-18(3)22(23)25)20-8-6-5-7-19(20)27-24(31)26-4/h5-10,17,30H,11-16H2,1-4H3,(H2,26,27,31)
InChIKeyYQOZKISBWOWOJD-UHFFFAOYSA-N
XLogP4.59
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-chloro-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(3-fluoro-4-methylphenyl)urea
CID 118130528
1-[2-[1'-(2,2-dimethylpropyl)-7-hydroxy-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(4-methylphenyl)urea
CID 122518223
1-[2-[1'-(2,2-dimethylpropyl)-4-fluoro-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(4-methylphenyl)urea
CID 122518219
1-[2-[4-chloro-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 118130584
1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2-[4-chloro-1'-[3-[6-[4-chloro-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]-5-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoylamino]-3-pyridinyl]-2-methylpropyl]-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea
CID 144565835
1-(4-tert-butylphenyl)-3-[2-[1'-(2,2-dimethylpropyl)-7-hydroxy-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea;1-[2-[1'-(2,2-dimethylpropyl)-7-hydroxy-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea;ethane
CID 144565838
2-[4-chloro-7-methoxy-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]aniline
CID 90035015
1-[2-[4-(4-chlorophenyl)-1'-(2,2-dimethylpropyl)-5-fluoro-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea
CID 118130595
1-[2-[1'-(2,2-dimethylpropyl)-5-fluoro-4-(4-fluorophenyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118130678
1-(2-chloro-1,3-thiazol-4-yl)-3-[2-[1'-(2,2-dimethylpropyl)-4-(6-fluoro-1,3-benzothiazol-2-yl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea
CID 136992594
methyl 1-[2-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-4-carboxylate
CID 73051382
1-[2-[4-(4-chlorophenyl)-1'-(2,2-dimethylpropyl)-5-fluoro-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118130556

Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea?
The IUPAC name of 1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea (CID 118149992) is 1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea.
What is the SMILES notation for 1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea?
The canonical SMILES for 1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea is CNC(=O)Nc1ccccc1N1CC2(CCN(CC(C)C)CC2)c2c(C)ccc(O)c21.
What is the InChIKey of 1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea?
The InChIKey is YQOZKISBWOWOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-17(2)15-28-13-11-25(12-14-28)16-29(23-21(30)10-9-18(3)22(23)25)20-8-6-5-7-19(20)27-24(31)26-4/h5-10,17,30H,11-16H2,1-4H3,(H2,26,27,31).
What are the key properties of 1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea?
1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea has a molecular weight of 422.57 g/mol, XLogP of 4.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea is sourced from PubChem (CID 118149992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).