3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide

C16H25N3O — CID 43726870

IUPAC3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
SMILESCCN1CCC(Nc2cc(C(=O)NC)ccc2C)CC1
InChIInChI=1S/C16H25N3O/c1-4-19-9-7-14(8-10-19)18-15-11-13(16(20)17-3)6-5-12(15)2/h5-6,11,14,18H,4,7-10H2,1-3H3,(H,17,20)
InChIKeyMCPJPOYSPAWRQS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.25
Rot. Bonds4

About 3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide

3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide (PubChem CID 43726870) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
PubChem CID43726870
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
SMILESCCN1CCC(Nc2cc(C(=O)NC)ccc2C)CC1
InChIInChI=1S/C16H25N3O/c1-4-19-9-7-14(8-10-19)18-15-11-13(16(20)17-3)6-5-12(15)2/h5-6,11,14,18H,4,7-10H2,1-3H3,(H,17,20)
InChIKeyMCPJPOYSPAWRQS-UHFFFAOYSA-N
XLogP2.25
TPSA44.37 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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cycloheptylamino)-N,4-dimethylbenzamide
CID 43726864
3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
CID 79730916
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide
CID 28620099
1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 66480329
4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide
CID 63357311
N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43734886
4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 63357031
3-[(1-ethylazepan-4-yl)amino]-4-fluorobenzoic acid
CID 65074475
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597
3-[(1,1-dioxothian-4-yl)amino]-N-ethyl-4-methylbenzamide
CID 43734956

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide (CID 43726870) is 3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide is CCN1CCC(Nc2cc(C(=O)NC)ccc2C)CC1.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide?
The InChIKey is MCPJPOYSPAWRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-19-9-7-14(8-10-19)18-15-11-13(16(20)17-3)6-5-12(15)2/h5-6,11,14,18H,4,7-10H2,1-3H3,(H,17,20).
What are the key properties of 3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide?
3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide is sourced from PubChem (CID 43726870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).