[1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone

C25H28ClN5O3 — CID 26322807

IUPAC[1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(C2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)nn1)N1CCOCC1
InChIInChI=1S/C25H28ClN5O3/c26-20-4-6-22(7-5-20)34-23-3-1-2-19(16-23)17-29-10-8-21(9-11-29)31-18-24(27-28-31)25(32)30-12-14-33-15-13-30/h1-7,16,18,21H,8-15,17H2
InChIKeyUQNVFMKATCVYTG-UHFFFAOYSA-N
MW481.98 g/mol
LogP4.03
Rot. Bonds6

About [1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone

[1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 26322807) has the molecular formula C25H28ClN5O3 and a molecular weight of 481.98 g/mol. Its IUPAC name is [1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone
PubChem CID26322807
Molecular FormulaC25H28ClN5O3
Molecular Weight481.98 g/mol
Exact Mass481.19
IUPAC Name[1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(C2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)nn1)N1CCOCC1
InChIInChI=1S/C25H28ClN5O3/c26-20-4-6-22(7-5-20)34-23-3-1-2-19(16-23)17-29-10-8-21(9-11-29)31-18-24(27-28-31)25(32)30-12-14-33-15-13-30/h1-7,16,18,21H,8-15,17H2
InChIKeyUQNVFMKATCVYTG-UHFFFAOYSA-N
XLogP4.03
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.98
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone
CID 25292870
[1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42398197
1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-2-phenylethanone
CID 59140034
1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-methoxypyrrolidine
CID 74239025
1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide
CID 146636810
9-[[3-(4-chlorophenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 67535423
(3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-3-ol
CID 7439337
[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42501917
morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
CID 45249044
morpholin-4-yl-(1-piperidin-3-yltriazol-4-yl)methanone
CID 102537912
[1-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 26351120
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900654

Frequently Asked Questions

What is the IUPAC name of [1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone (CID 26322807) is [1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone is O=C(c1cn(C2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)nn1)N1CCOCC1.
What is the InChIKey of [1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is UQNVFMKATCVYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O3/c26-20-4-6-22(7-5-20)34-23-3-1-2-19(16-23)17-29-10-8-21(9-11-29)31-18-24(27-28-31)25(32)30-12-14-33-15-13-30/h1-7,16,18,21H,8-15,17H2.
What are the key properties of [1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone?
[1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 481.98 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26322807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).