[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone

C19H24ClN5O2 — CID 119784336

IUPAC[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H24ClN5O2/c1-13-12-27-18(15-4-2-3-5-16(15)20)11-24(13)19(26)17-10-25(23-22-17)14-6-8-21-9-7-14/h2-5,10,13-14,18,21H,6-9,11-12H2,1H3
InChIKeyZHDIWEYCYXAWOW-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.46
Rot. Bonds3

About [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone

[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119784336) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119784336
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H24ClN5O2/c1-13-12-27-18(15-4-2-3-5-16(15)20)11-24(13)19(26)17-10-25(23-22-17)14-6-8-21-9-7-14/h2-5,10,13-14,18,21H,6-9,11-12H2,1H3
InChIKeyZHDIWEYCYXAWOW-UHFFFAOYSA-N
XLogP2.46
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119790919
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119893301
[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 96511165
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 124693146
(4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119788759
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 124568472
(3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
CID 119784353
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 95620407
[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 56786709

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119784336) is [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone is CC1COC(c2ccccc2Cl)CN1C(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is ZHDIWEYCYXAWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-13-12-27-18(15-4-2-3-5-16(15)20)11-24(13)19(26)17-10-25(23-22-17)14-6-8-21-9-7-14/h2-5,10,13-14,18,21H,6-9,11-12H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 389.89 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119784336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).