4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide

C20H33N3O — CID 119557132

IUPAC4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide
SMILESCCN(Cc1ccc(C(=O)NCCC2CCCNC2)cc1)C(C)C
InChIInChI=1S/C20H33N3O/c1-4-23(16(2)3)15-18-7-9-19(10-8-18)20(24)22-13-11-17-6-5-12-21-14-17/h7-10,16-17,21H,4-6,11-15H2,1-3H3,(H,22,24)
InChIKeyBQKYGRIMRFHPGV-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.04
Rot. Bonds8

About 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide

4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 119557132) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID119557132
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide
SMILESCCN(Cc1ccc(C(=O)NCCC2CCCNC2)cc1)C(C)C
InChIInChI=1S/C20H33N3O/c1-4-23(16(2)3)15-18-7-9-19(10-8-18)20(24)22-13-11-17-6-5-12-21-14-17/h7-10,16-17,21H,4-6,11-15H2,1-3H3,(H,22,24)
InChIKeyBQKYGRIMRFHPGV-UHFFFAOYSA-N
XLogP3.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557704
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 111459679
4-(difluoromethylsulfonyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556890
4-(tert-butylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555746
N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride
CID 119383699
4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119559215
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557065
4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
CID 119556823
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide (CID 119557132) is 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide is CCN(Cc1ccc(C(=O)NCCC2CCCNC2)cc1)C(C)C.
What is the InChIKey of 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is BQKYGRIMRFHPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-4-23(16(2)3)15-18-7-9-19(10-8-18)20(24)22-13-11-17-6-5-12-21-14-17/h7-10,16-17,21H,4-6,11-15H2,1-3H3,(H,22,24).
What are the key properties of 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide?
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 331.50 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 119557132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).