4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide

C18H29N3O — CID 120573277

IUPAC4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide
SMILESCCCN(CC)c1ccc(C(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C18H29N3O/c1-4-13-21(5-2)16-10-8-15(9-11-16)18(22)20-17-7-6-12-19-14(17)3/h8-11,14,17,19H,4-7,12-13H2,1-3H3,(H,20,22)
InChIKeyJVYWEXOHVXNKKA-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.79
Rot. Bonds6

About 4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide

4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120573277) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120573277
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide
SMILESCCCN(CC)c1ccc(C(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C18H29N3O/c1-4-13-21(5-2)16-10-8-15(9-11-16)18(22)20-17-7-6-12-19-14(17)3/h8-11,14,17,19H,4-7,12-13H2,1-3H3,(H,20,22)
InChIKeyJVYWEXOHVXNKKA-UHFFFAOYSA-N
XLogP2.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride
CID 120576871
N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 120577071
4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957212
1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
CID 120575205
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574690
4-(3-methoxypropoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 120575755
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574947
N-[[4-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 120574736

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide (CID 120573277) is 4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide is CCCN(CC)c1ccc(C(=O)NC2CCCNC2C)cc1.
What is the InChIKey of 4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is JVYWEXOHVXNKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-13-21(5-2)16-10-8-15(9-11-16)18(22)20-17-7-6-12-19-14(17)3/h8-11,14,17,19H,4-7,12-13H2,1-3H3,(H,20,22).
What are the key properties of 4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide?
4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 303.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120573277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).