5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide

C16H25N3O — CID 120643725

IUPAC5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)N(C)CC1CCCN(C)C1
InChIInChI=1S/C16H25N3O/c1-12-6-7-14(17)9-15(12)16(20)19(3)11-13-5-4-8-18(2)10-13/h6-7,9,13H,4-5,8,10-11,17H2,1-3H3
InChIKeyLIFOPNYDDMLXME-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.99
Rot. Bonds3

About 5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide

5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide (PubChem CID 120643725) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
PubChem CID120643725
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
SMILESCc1ccc(N)cc1C(=O)N(C)CC1CCCN(C)C1
InChIInChI=1S/C16H25N3O/c1-12-6-7-14(17)9-15(12)16(20)19(3)11-13-5-4-8-18(2)10-13/h6-7,9,13H,4-5,8,10-11,17H2,1-3H3
InChIKeyLIFOPNYDDMLXME-UHFFFAOYSA-N
XLogP1.99
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
CID 120629879
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride
CID 119946678
2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
CID 63632253
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509
5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
CID 103296416
3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 61292517
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide
CID 120632735
(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 120647549

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide (CID 120643725) is 5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide is Cc1ccc(N)cc1C(=O)N(C)CC1CCCN(C)C1.
What is the InChIKey of 5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The InChIKey is LIFOPNYDDMLXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-6-7-14(17)9-15(12)16(20)19(3)11-13-5-4-8-18(2)10-13/h6-7,9,13H,4-5,8,10-11,17H2,1-3H3.
What are the key properties of 5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide has a molecular weight of 275.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 120643725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).