(3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione

C25H29ClN4O2 — CID 15603359

IUPAC(3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESO=C1[C@@H](Cc2cccnc2)NC(=O)C2(CCN(Cc3ccc(Cl)cc3)CC2)N1C1CCC1
InChIInChI=1S/C25H29ClN4O2/c26-20-8-6-18(7-9-20)17-29-13-10-25(11-14-29)24(32)28-22(15-19-3-2-12-27-16-19)23(31)30(25)21-4-1-5-21/h2-3,6-9,12,16,21-22H,1,4-5,10-11,13-15,17H2,(H,28,32)/t22-/m1/s1
InChIKeyFRIFQBLKLKNUKB-JOCHJYFZSA-N
MW452.99 g/mol
LogP3.19
Rot. Bonds5

About (3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione

(3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 15603359) has the molecular formula C25H29ClN4O2 and a molecular weight of 452.99 g/mol. Its IUPAC name is (3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name(3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
PubChem CID15603359
Molecular FormulaC25H29ClN4O2
Molecular Weight452.99 g/mol
Exact Mass452.20
IUPAC Name(3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESO=C1[C@@H](Cc2cccnc2)NC(=O)C2(CCN(Cc3ccc(Cl)cc3)CC2)N1C1CCC1
InChIInChI=1S/C25H29ClN4O2/c26-20-8-6-18(7-9-20)17-29-13-10-25(11-14-29)24(32)28-22(15-19-3-2-12-27-16-19)23(31)30(25)21-4-1-5-21/h2-3,6-9,12,16,21-22H,1,4-5,10-11,13-15,17H2,(H,28,32)/t22-/m1/s1
InChIKeyFRIFQBLKLKNUKB-JOCHJYFZSA-N
XLogP3.19
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione with MolForge

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Related Compounds

(3R)-9-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 15603360
3-benzyl-9-[(4-chlorophenyl)methyl]-1-pentan-2-yl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 67273361
4-[4-[[(3S)-1-butyl-2,5-dioxo-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-N-methylbenzamide
CID 58635493
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42517374
3-[[3-[2-(4-chlorophenyl)ethyl]-3-(ethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322793
8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598
(4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97483654
8-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 22022233
(7S,9aR)-7-benzyl-2-[(4-chlorophenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56860524
[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383873
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052

Frequently Asked Questions

What is the IUPAC name of (3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of (3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 15603359) is (3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for (3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for (3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione is O=C1[C@@H](Cc2cccnc2)NC(=O)C2(CCN(Cc3ccc(Cl)cc3)CC2)N1C1CCC1.
What is the InChIKey of (3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The InChIKey is FRIFQBLKLKNUKB-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29ClN4O2/c26-20-8-6-18(7-9-20)17-29-13-10-25(11-14-29)24(32)28-22(15-19-3-2-12-27-16-19)23(31)30(25)21-4-1-5-21/h2-3,6-9,12,16,21-22H,1,4-5,10-11,13-15,17H2,(H,28,32)/t22-/m1/s1.
What are the key properties of (3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
(3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 452.99 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 15603359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).