4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide

C16H25N3O — CID 114503397

IUPAC4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNC1CCN(C)CC1C
InChIInChI=1S/C16H25N3O/c1-11-8-13(16(17)20)4-5-14(11)9-18-15-6-7-19(3)10-12(15)2/h4-5,8,12,15,18H,6-7,9-10H2,1-3H3,(H2,17,20)
InChIKeyYFSRXXVXBSXHDB-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.52
Rot. Bonds4

About 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide

4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide (PubChem CID 114503397) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide
PubChem CID114503397
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNC1CCN(C)CC1C
InChIInChI=1S/C16H25N3O/c1-11-8-13(16(17)20)4-5-14(11)9-18-15-6-7-19(3)10-12(15)2/h4-5,8,12,15,18H,6-7,9-10H2,1-3H3,(H2,17,20)
InChIKeyYFSRXXVXBSXHDB-UHFFFAOYSA-N
XLogP1.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-3-methylbenzamide
CID 114480105
4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide
CID 114480489
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide
CID 114480343
(3R,4S)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine;(3S,4R)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 159445315
4-[[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]methyl]-3-methylbenzamide
CID 114480478
3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide
CID 114480476
3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide
CID 102664681
3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide
CID 114480123
4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide
CID 114480409
2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol
CID 115907050
2-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 113338430
3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 114484796

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide (CID 114503397) is 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CNC1CCN(C)CC1C.
What is the InChIKey of 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide?
The InChIKey is YFSRXXVXBSXHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-8-13(16(17)20)4-5-14(11)9-18-15-6-7-19(3)10-12(15)2/h4-5,8,12,15,18H,6-7,9-10H2,1-3H3,(H2,17,20).
What are the key properties of 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide?
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide is sourced from PubChem (CID 114503397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).