1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea

C25H27N5O — CID 71164987

IUPAC1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(N2CC3(CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C25H27N5O/c31-24(28-17-19-4-3-13-27-16-19)29-20-7-9-21(10-8-20)30-18-25(11-14-26-15-12-25)22-5-1-2-6-23(22)30/h1-10,13,16,26H,11-12,14-15,17-18H2,(H2,28,29,31)
InChIKeyGEZCEEAIHQIBGW-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.18
Rot. Bonds4

About 1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea

1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea (PubChem CID 71164987) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea
PubChem CID71164987
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(N2CC3(CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C25H27N5O/c31-24(28-17-19-4-3-13-27-16-19)29-20-7-9-21(10-8-20)30-18-25(11-14-26-15-12-25)22-5-1-2-6-23(22)30/h1-10,13,16,26H,11-12,14-15,17-18H2,(H2,28,29,31)
InChIKeyGEZCEEAIHQIBGW-UHFFFAOYSA-N
XLogP4.18
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1'-(oxolane-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 71502967
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide
CID 167833073
1-[4-[2-(piperazine-1-carboximidoyl)anilino]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 89330395
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
1-[4-(4-pyrazol-1-ylphenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66613925
4-(pyridin-3-ylmethylcarbamoylamino)benzenesulfonic acid
CID 127560849
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
1-(pyridin-3-ylmethyl)-3-(4-thiomorpholin-4-ylsulfonylphenyl)urea
CID 66610991
N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide
CID 91704077

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea?
The IUPAC name of 1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea (CID 71164987) is 1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea is O=C(NCc1cccnc1)Nc1ccc(N2CC3(CCNCC3)c3ccccc32)cc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea?
The InChIKey is GEZCEEAIHQIBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c31-24(28-17-19-4-3-13-27-16-19)29-20-7-9-21(10-8-20)30-18-25(11-14-26-15-12-25)22-5-1-2-6-23(22)30/h1-10,13,16,26H,11-12,14-15,17-18H2,(H2,28,29,31).
What are the key properties of 1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea?
1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea has a molecular weight of 413.53 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-3-(4-spiro[2H-indole-3,4'-piperidine]-1-ylphenyl)urea is sourced from PubChem (CID 71164987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).