N-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide

C21H34N2O — CID 166683841

IUPACN-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide
SMILESCCC(C)N1CCC(CCNC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C21H34N2O/c1-5-17(4)23-14-11-18(12-15-23)10-13-22-21(24)20-8-6-19(7-9-20)16(2)3/h6-9,16-18H,5,10-15H2,1-4H3,(H,22,24)
InChIKeyKLKIQMQAFPVXQQ-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.44
Rot. Bonds7

About N-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide

N-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide (PubChem CID 166683841) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is N-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide
PubChem CID166683841
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC NameN-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide
SMILESCCC(C)N1CCC(CCNC(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C21H34N2O/c1-5-17(4)23-14-11-18(12-15-23)10-13-22-21(24)20-8-6-19(7-9-20)16(2)3/h6-9,16-18H,5,10-15H2,1-4H3,(H,22,24)
InChIKeyKLKIQMQAFPVXQQ-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 110709882
N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide
CID 143724454
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-4-propan-2-ylbenzamide
CID 58977021
N-(2-cyclobutylethyl)-4-(methylamino)benzamide
CID 113479358
2-methyl-4-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 80539325
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
3-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 81065974
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide
CID 99590993
N-(2-cyclohexylethyl)-4-(propylamino)benzamide
CID 62180221

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide (CID 166683841) is N-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide is CCC(C)N1CCC(CCNC(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide?
The InChIKey is KLKIQMQAFPVXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-5-17(4)23-14-11-18(12-15-23)10-13-22-21(24)20-8-6-19(7-9-20)16(2)3/h6-9,16-18H,5,10-15H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide?
N-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide has a molecular weight of 330.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-butan-2-ylpiperidin-4-yl)ethyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 166683841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).