N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide

C17H24N2O2 — CID 170276492

IUPACN-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
SMILESCCC(=O)c1ccccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-2-16(20)14-8-4-5-9-15(14)17(21)18-10-13-19-11-6-3-7-12-19/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,18,21)
InChIKeyASRDXTQDVJYPFR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.49
Rot. Bonds6

About N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide

N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide (PubChem CID 170276492) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
PubChem CID170276492
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
SMILESCCC(=O)c1ccccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-2-16(20)14-8-4-5-9-15(14)17(21)18-10-13-19-11-6-3-7-12-19/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,18,21)
InChIKeyASRDXTQDVJYPFR-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
CID 62175413
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 123586173
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773
2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide
CID 71871594
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
N-[2-(azepan-1-yl)ethyl]-3-bromo-2-fluorobenzamide
CID 106547835
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
2-(2-thiomorpholin-4-ylethylcarbamoyl)benzoic acid
CID 106305212

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide (CID 170276492) is N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide is CCC(=O)c1ccccc1C(=O)NCCN1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide?
The InChIKey is ASRDXTQDVJYPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-16(20)14-8-4-5-9-15(14)17(21)18-10-13-19-11-6-3-7-12-19/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,18,21).
What are the key properties of N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide?
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide is sourced from PubChem (CID 170276492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).