(3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide

C21H33N3O2 — CID 126450439

IUPAC(3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccccc1[C@@H]1CCCN(C(=O)NCC(C)(C)N2CCOCC2)C1
InChIInChI=1S/C21H33N3O2/c1-17-7-4-5-9-19(17)18-8-6-10-23(15-18)20(25)22-16-21(2,3)24-11-13-26-14-12-24/h4-5,7,9,18H,6,8,10-16H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyCGKMRTARQOMMBO-GOSISDBHSA-N
MW359.51 g/mol
LogP2.99
Rot. Bonds4

About (3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide

(3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide (PubChem CID 126450439) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide
PubChem CID126450439
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccccc1[C@@H]1CCCN(C(=O)NCC(C)(C)N2CCOCC2)C1
InChIInChI=1S/C21H33N3O2/c1-17-7-4-5-9-19(17)18-8-6-10-23(15-18)20(25)22-16-21(2,3)24-11-13-26-14-12-24/h4-5,7,9,18H,6,8,10-16H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyCGKMRTARQOMMBO-GOSISDBHSA-N
XLogP2.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide
CID 126431344
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 86999608
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60505527
4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
CID 28769074
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51163397
(3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126445256
3-methyl-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 95296201
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
[4-(aminomethyl)oxan-4-yl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120930200
N-(2-methyl-2-morpholin-4-ylpropyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 24982802

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide (CID 126450439) is (3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide is Cc1ccccc1[C@@H]1CCCN(C(=O)NCC(C)(C)N2CCOCC2)C1.
What is the InChIKey of (3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is CGKMRTARQOMMBO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-17-7-4-5-9-19(17)18-8-6-10-23(15-18)20(25)22-16-21(2,3)24-11-13-26-14-12-24/h4-5,7,9,18H,6,8,10-16H2,1-3H3,(H,22,25)/t18-/m1/s1.
What are the key properties of (3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide?
(3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 126450439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).