5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride

C16H21ClF3N3O2 — CID 120636550

IUPAC5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1.Cl
InChIInChI=1S/C16H20F3N3O2.ClH/c1-10-2-3-12(20)8-13(10)14(23)21-9-11-4-6-22(7-5-11)15(24)16(17,18)19;/h2-3,8,11H,4-7,9,20H2,1H3,(H,21,23);1H
InChIKeyOMUIHESXDRYVJH-UHFFFAOYSA-N
MW379.81 g/mol
LogP2.53
Rot. Bonds3

About 5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride

5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride (PubChem CID 120636550) has the molecular formula C16H21ClF3N3O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride
PubChem CID120636550
Molecular FormulaC16H21ClF3N3O2
Molecular Weight379.81 g/mol
Exact Mass379.13
IUPAC Name5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1.Cl
InChIInChI=1S/C16H20F3N3O2.ClH/c1-10-2-3-12(20)8-13(10)14(23)21-9-11-4-6-22(7-5-11)15(24)16(17,18)19;/h2-3,8,11H,4-7,9,20H2,1H3,(H,21,23);1H
InChIKeyOMUIHESXDRYVJH-UHFFFAOYSA-N
XLogP2.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363
2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide
CID 108932810
2-(4-methylphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71866670
5-amino-2-methyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzamide;dihydrochloride
CID 120645543
5-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylbenzamide
CID 120645819
4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide
CID 165390196
3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride
CID 120638870
5-amino-N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-2-methylbenzamide
CID 120645355
5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120646104
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride (CID 120636550) is 5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The InChIKey is OMUIHESXDRYVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2.ClH/c1-10-2-3-12(20)8-13(10)14(23)21-9-11-4-6-22(7-5-11)15(24)16(17,18)19;/h2-3,8,11H,4-7,9,20H2,1H3,(H,21,23);1H.
What are the key properties of 5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride has a molecular weight of 379.81 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 120636550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).