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

C18H27N3O2 — CID 120642716

IUPAC(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ccc(N)cc1C(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C18H27N3O2/c1-14-2-3-16(19)12-17(14)18(22)21-6-4-15(5-7-21)13-20-8-10-23-11-9-20/h2-3,12,15H,4-11,13,19H2,1H3
InChIKeyNHIIHRMWVUCNPS-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.76
Rot. Bonds3

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

(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 120642716) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID120642716
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ccc(N)cc1C(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C18H27N3O2/c1-14-2-3-16(19)12-17(14)18(22)21-6-4-15(5-7-21)13-20-8-10-23-11-9-20/h2-3,12,15H,4-11,13,19H2,1H3
InChIKeyNHIIHRMWVUCNPS-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120647602
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 120644954
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120646100
(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168260
(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416759
(5-amino-2-methylphenyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 120642745
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 120647549
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(5-amino-2-methylphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120632288
(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 120647548
(4-amino-5-chloro-2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 119851808

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 120642716) is (5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is Cc1ccc(N)cc1C(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of (5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is NHIIHRMWVUCNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-2-3-16(19)12-17(14)18(22)21-6-4-15(5-7-21)13-20-8-10-23-11-9-20/h2-3,12,15H,4-11,13,19H2,1H3.
What are the key properties of (5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 1.76, 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)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 120642716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).