(5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone

C18H27N3O2 — CID 120645207

IUPAC(5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
SMILESCc1ccc(N)cc1C(=O)N1CCC(N2CCOC(C)C2)CC1
InChIInChI=1S/C18H27N3O2/c1-13-3-4-15(19)11-17(13)18(22)20-7-5-16(6-8-20)21-9-10-23-14(2)12-21/h3-4,11,14,16H,5-10,12,19H2,1-2H3
InChIKeySNKACKQUPODZJF-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.90
Rot. Bonds2

About (5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone

(5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone (PubChem CID 120645207) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
PubChem CID120645207
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
SMILESCc1ccc(N)cc1C(=O)N1CCC(N2CCOC(C)C2)CC1
InChIInChI=1S/C18H27N3O2/c1-13-3-4-15(19)11-17(13)18(22)20-7-5-16(6-8-20)21-9-10-23-14(2)12-21/h3-4,11,14,16H,5-10,12,19H2,1-2H3
InChIKeySNKACKQUPODZJF-UHFFFAOYSA-N
XLogP1.90
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168260
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373
(5-amino-2-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168605
1-benzofuran-2-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 56818170
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
(5-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 120626598
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432
1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl-(5-amino-2-methylphenyl)methanone
CID 120636073
(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120642716
2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 86824775
(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416759
(2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 86846041

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone (CID 120645207) is (5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone is Cc1ccc(N)cc1C(=O)N1CCC(N2CCOC(C)C2)CC1.
What is the InChIKey of (5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone?
The InChIKey is SNKACKQUPODZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-3-4-15(19)11-17(13)18(22)20-7-5-16(6-8-20)21-9-10-23-14(2)12-21/h3-4,11,14,16H,5-10,12,19H2,1-2H3.
What are the key properties of (5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone?
(5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 120645207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).