1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea

C34H34N4O2 — CID 59114396

IUPAC1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea
SMILESCn1c(CN2CCC(c3ccccc3)CC2)cc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21
InChIInChI=1S/C34H34N4O2/c1-37-30(24-38-20-18-26(19-21-38)25-8-4-2-5-9-25)23-27-22-29(14-17-33(27)37)36-34(39)35-28-12-15-32(16-13-28)40-31-10-6-3-7-11-31/h2-17,22-23,26H,18-21,24H2,1H3,(H2,35,36,39)
InChIKeyJCWFBCAWJCHCPA-UHFFFAOYSA-N
MW530.67 g/mol
LogP7.99
Rot. Bonds7

About 1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea

1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea (PubChem CID 59114396) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is 1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea
PubChem CID59114396
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Name1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea
SMILESCn1c(CN2CCC(c3ccccc3)CC2)cc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21
InChIInChI=1S/C34H34N4O2/c1-37-30(24-38-20-18-26(19-21-38)25-8-4-2-5-9-25)23-27-22-29(14-17-33(27)37)36-34(39)35-28-12-15-32(16-13-28)40-31-10-6-3-7-11-31/h2-17,22-23,26H,18-21,24H2,1H3,(H2,35,36,39)
InChIKeyJCWFBCAWJCHCPA-UHFFFAOYSA-N
XLogP7.99
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-hydroxypiperidin-1-yl)methyl]-1-methylindol-5-yl]-3-(4-phenoxyphenyl)urea
CID 59114406
1-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-3-(4-phenoxyphenyl)urea
CID 12972944
1-[1-[2-(3-hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
CID 11259634
2-methyl-N-[3-[1-[3-[(4-phenoxyphenyl)carbamoylamino]-3-phenylpropyl]piperidin-4-yl]phenyl]propanamide
CID 22049038
1-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
CID 11248433
3-[1-[[6-[(4-phenoxyphenyl)carbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 70036138
N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide
CID 22049474
2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
CID 16756522
1-(3,4-dimethoxyphenyl)-3-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]urea
CID 97453201
4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine
CID 11581161
N-[3-[1-[[3-(4-tert-butylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16756523
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-4-(4-phenylpiperidin-1-yl)butanamide
CID 162656365

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea (CID 59114396) is 1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea is Cn1c(CN2CCC(c3ccccc3)CC2)cc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21.
What is the InChIKey of 1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea?
The InChIKey is JCWFBCAWJCHCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-37-30(24-38-20-18-26(19-21-38)25-8-4-2-5-9-25)23-27-22-29(14-17-33(27)37)36-34(39)35-28-12-15-32(16-13-28)40-31-10-6-3-7-11-31/h2-17,22-23,26H,18-21,24H2,1H3,(H2,35,36,39).
What are the key properties of 1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea?
1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea has a molecular weight of 530.67 g/mol, XLogP of 7.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-2-[(4-phenylpiperidin-1-yl)methyl]indol-5-yl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 59114396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).