N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide

C17H27N3O — CID 62656532

IUPACN,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NCC1CCCCN1C
InChIInChI=1S/C17H27N3O/c1-13-8-9-14(17(21)19(2)3)11-16(13)18-12-15-7-5-6-10-20(15)4/h8-9,11,15,18H,5-7,10,12H2,1-4H3
InChIKeyXCQHSXWCYZBOTH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.59
Rot. Bonds4

About N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide

N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide (PubChem CID 62656532) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide
PubChem CID62656532
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NCC1CCCCN1C
InChIInChI=1S/C17H27N3O/c1-13-8-9-14(17(21)19(2)3)11-16(13)18-12-15-7-5-6-10-20(15)4/h8-9,11,15,18H,5-7,10,12H2,1-4H3
InChIKeyXCQHSXWCYZBOTH-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62655654
3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656714
2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962534
4-methyl-3-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 62658328
3-chloro-4-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 55181036
N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide
CID 43695009
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 62654359
[3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid
CID 69441538
3-[(1-methylpiperidin-2-yl)methylamino]-4-nitrobenzamide
CID 82991901
4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 55099801
2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107700090
2-methoxy-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659446

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide?
The IUPAC name of N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide (CID 62656532) is N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide?
The canonical SMILES for N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide is Cc1ccc(C(=O)N(C)C)cc1NCC1CCCCN1C.
What is the InChIKey of N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide?
The InChIKey is XCQHSXWCYZBOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-8-9-14(17(21)19(2)3)11-16(13)18-12-15-7-5-6-10-20(15)4/h8-9,11,15,18H,5-7,10,12H2,1-4H3.
What are the key properties of N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide?
N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide is sourced from PubChem (CID 62656532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).