4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide

C16H25N3O — CID 28620099

IUPAC4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide
SMILESCCN1CCC(NCc2ccc(C(=O)NC)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-3-19-10-8-15(9-11-19)18-12-13-4-6-14(7-5-13)16(20)17-2/h4-7,15,18H,3,8-12H2,1-2H3,(H,17,20)
InChIKeyZDXIEQNSZLBZDJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.62
Rot. Bonds5

About 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide

4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide (PubChem CID 28620099) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide
PubChem CID28620099
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide
SMILESCCN1CCC(NCc2ccc(C(=O)NC)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-3-19-10-8-15(9-11-19)18-12-13-4-6-14(7-5-13)16(20)17-2/h4-7,15,18H,3,8-12H2,1-2H3,(H,17,20)
InChIKeyZDXIEQNSZLBZDJ-UHFFFAOYSA-N
XLogP1.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[(thian-4-ylamino)methyl]benzamide
CID 43329353
4-[[(1,1-dioxothian-4-yl)amino]methyl]-N-methylbenzamide
CID 43511571
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide
CID 79462597
4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
CID 112553050
3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
CID 43726870
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-N-methylbenzamide
CID 43121641
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-N-methylbenzamide
CID 104588896
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
4-[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 65347580

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide (CID 28620099) is 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide is CCN1CCC(NCc2ccc(C(=O)NC)cc2)CC1.
What is the InChIKey of 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide?
The InChIKey is ZDXIEQNSZLBZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19-10-8-15(9-11-19)18-12-13-4-6-14(7-5-13)16(20)17-2/h4-7,15,18H,3,8-12H2,1-2H3,(H,17,20).
What are the key properties of 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide?
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 28620099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).