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

C26H31ClN4O2 — CID 15603360

IUPAC(3R)-9-[(4-chlorophenyl)methyl]-1-cyclopentyl-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)N1C1CCCC1
InChIInChI=1S/C26H31ClN4O2/c27-21-9-7-19(8-10-21)18-30-14-11-26(12-15-30)25(33)29-23(16-20-4-3-13-28-17-20)24(32)31(26)22-5-1-2-6-22/h3-4,7-10,13,17,22-23H,1-2,5-6,11-12,14-16,18H2,(H,29,33)/t23-/m1/s1
InChIKeyMYJOVQJDEAOKIK-HSZRJFAPSA-N
MW467.01 g/mol
LogP3.58
Rot. Bonds5

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

(3R)-9-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 15603360) has the molecular formula C26H31ClN4O2 and a molecular weight of 467.01 g/mol. Its IUPAC name is (3R)-9-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name(3R)-9-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
PubChem CID15603360
Molecular FormulaC26H31ClN4O2
Molecular Weight467.01 g/mol
Exact Mass466.21
IUPAC Name(3R)-9-[(4-chlorophenyl)methyl]-1-cyclopentyl-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)N1C1CCCC1
InChIInChI=1S/C26H31ClN4O2/c27-21-9-7-19(8-10-21)18-30-14-11-26(12-15-30)25(33)29-23(16-20-4-3-13-28-17-20)24(32)31(26)22-5-1-2-6-22/h3-4,7-10,13,17,22-23H,1-2,5-6,11-12,14-16,18H2,(H,29,33)/t23-/m1/s1
InChIKeyMYJOVQJDEAOKIK-HSZRJFAPSA-N
XLogP3.58
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.01
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-9-[(4-chlorophenyl)methyl]-1-cyclobutyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 15603359
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
5-[(4-chlorophenyl)methyl]-7,7-dioxo-10-(pyridin-3-ylmethyl)-7λ6-thia-10-azaspiro[5.6]dodecan-11-one
CID 19992150
(8aR)-2-cyclohexyl-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537127
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

Frequently Asked Questions

What is the IUPAC name of (3R)-9-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of (3R)-9-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 15603360) is (3R)-9-[(4-chlorophenyl)methyl]-1-cyclopentyl-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-cyclopentyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for (3R)-9-[(4-chlorophenyl)methyl]-1-cyclopentyl-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)N1C1CCCC1.
What is the InChIKey of (3R)-9-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The InChIKey is MYJOVQJDEAOKIK-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H31ClN4O2/c27-21-9-7-19(8-10-21)18-30-14-11-26(12-15-30)25(33)29-23(16-20-4-3-13-28-17-20)24(32)31(26)22-5-1-2-6-22/h3-4,7-10,13,17,22-23H,1-2,5-6,11-12,14-16,18H2,(H,29,33)/t23-/m1/s1.
What are the key properties of (3R)-9-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
(3R)-9-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 467.01 g/mol, XLogP of 3.58, 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-cyclopentyl-3-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 15603360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).