N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide

C15H23N3O — CID 43734523

IUPACN,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCNC(=O)c1cccc(NC2CCN(C)CC2)c1C
InChIInChI=1S/C15H23N3O/c1-11-13(15(19)16-2)5-4-6-14(11)17-12-7-9-18(3)10-8-12/h4-6,12,17H,7-10H2,1-3H3,(H,16,19)
InChIKeyQTNKFJSTXZGBJN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.86
Rot. Bonds3

About N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide

N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide (PubChem CID 43734523) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
PubChem CID43734523
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCNC(=O)c1cccc(NC2CCN(C)CC2)c1C
InChIInChI=1S/C15H23N3O/c1-11-13(15(19)16-2)5-4-6-14(11)17-12-7-9-18(3)10-8-12/h4-6,12,17H,7-10H2,1-3H3,(H,16,19)
InChIKeyQTNKFJSTXZGBJN-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4,4-dimethylcycloheptyl)amino]-N,2-dimethylbenzamide
CID 65083034
N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 43734494
3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide
CID 64596426
3-[(3-ethoxycyclobutyl)amino]-N,2-dimethylbenzamide
CID 112561851
methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43139508
2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzoic acid
CID 43737247
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
N-methyl-2-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43692186
N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide
CID 102670996
N,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62658463
1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 174580283
N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide
CID 79957935

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide?
The IUPAC name of N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide (CID 43734523) is N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide is CNC(=O)c1cccc(NC2CCN(C)CC2)c1C.
What is the InChIKey of N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide?
The InChIKey is QTNKFJSTXZGBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-13(15(19)16-2)5-4-6-14(11)17-12-7-9-18(3)10-8-12/h4-6,12,17H,7-10H2,1-3H3,(H,16,19).
What are the key properties of N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide?
N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide is sourced from PubChem (CID 43734523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).