(2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine

C24H29ClN4O — CID 168679104

IUPAC(2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine
SMILESC[C@H]1CN(C2CCN(c3cccc4nccn34)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C24H29ClN4O/c1-18-16-29(22(17-30-18)15-19-5-7-20(25)8-6-19)21-9-12-27(13-10-21)24-4-2-3-23-26-11-14-28(23)24/h2-8,11,14,18,21-22H,9-10,12-13,15-17H2,1H3/t18-,22-/m0/s1
InChIKeyNKWLYWIUOOTAOR-AVRDEDQJSA-N
MW424.98 g/mol
LogP4.29
Rot. Bonds4

About (2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine

(2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine (PubChem CID 168679104) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is (2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine.

Molecular Properties

Compound Name(2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine
PubChem CID168679104
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name(2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine
SMILESC[C@H]1CN(C2CCN(c3cccc4nccn34)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C24H29ClN4O/c1-18-16-29(22(17-30-18)15-19-5-7-20(25)8-6-19)21-9-12-27(13-10-21)24-4-2-3-23-26-11-14-28(23)24/h2-8,11,14,18,21-22H,9-10,12-13,15-17H2,1H3/t18-,22-/m0/s1
InChIKeyNKWLYWIUOOTAOR-AVRDEDQJSA-N
XLogP4.29
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine
CID 168679082
(2S,5S)-4-[1-(2-bromo-4-pyridinyl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine
CID 168679103
2-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 168678970
2-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-4-carboxylic acid
CID 168679072
(2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine
CID 170197390
5-[4-[(2R,5R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159429680
5-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157057863
(2S,5S)-5-[(4-chlorophenyl)methyl]-4-[1-(4-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-2-methylmorpholine
CID 168679118
(2S,5S)-5-[2-(4-chlorophenyl)ethyl]-2-methyl-4-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]morpholine
CID 170199017
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-propan-2-yl-4-(1-pyridin-2-ylpiperidin-4-yl)morpholine
CID 168679034
(5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine
CID 170358023
1-[[5-[(4-chlorophenyl)methyl]-4-(1-pyrimidin-2-ylpiperidin-4-yl)morpholin-2-yl]methyl]pyrrolidine-2,5-dione
CID 170198016

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine?
The IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine (CID 168679104) is (2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine.
What is the SMILES notation for (2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine?
The canonical SMILES for (2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine is C[C@H]1CN(C2CCN(c3cccc4nccn34)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of (2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine?
The InChIKey is NKWLYWIUOOTAOR-AVRDEDQJSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-18-16-29(22(17-30-18)15-19-5-7-20(25)8-6-19)21-9-12-27(13-10-21)24-4-2-3-23-26-11-14-28(23)24/h2-8,11,14,18,21-22H,9-10,12-13,15-17H2,1H3/t18-,22-/m0/s1.
What are the key properties of (2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine?
(2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine has a molecular weight of 424.98 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[(4-chlorophenyl)methyl]-4-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-2-methylmorpholine is sourced from PubChem (CID 168679104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).