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

C18H27N3O2 — CID 120646100

IUPAC(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ccc(N)cc1C(=O)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C18H27N3O2/c1-14-5-6-15(19)12-17(14)18(22)21-7-3-2-4-16(21)13-20-8-10-23-11-9-20/h5-6,12,16H,2-4,7-11,13,19H2,1H3
InChIKeyLTVVCIMSQWBCPG-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.90
Rot. Bonds3

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

(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 120646100) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID120646100
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ccc(N)cc1C(=O)N1CCCCC1CN1CCOCC1
InChIInChI=1S/C18H27N3O2/c1-14-5-6-15(19)12-17(14)18(22)21-7-3-2-4-16(21)13-20-8-10-23-11-9-20/h5-6,12,16H,2-4,7-11,13,19H2,1H3
InChIKeyLTVVCIMSQWBCPG-UHFFFAOYSA-N
XLogP1.90
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 120644954
(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120642716
N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 120622886
(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70768311
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 99974262
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 70717304
(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 95348718
(3,4-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 164638183
(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 97123700
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126776183

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 120646100) is (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is Cc1ccc(N)cc1C(=O)N1CCCCC1CN1CCOCC1.
What is the InChIKey of (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is LTVVCIMSQWBCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-5-6-15(19)12-17(14)18(22)21-7-3-2-4-16(21)13-20-8-10-23-11-9-20/h5-6,12,16H,2-4,7-11,13,19H2,1H3.
What are the key properties of (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 120646100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).