N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide

C17H27N3O — CID 62175413

IUPACN-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C17H27N3O/c1-2-10-18-16-9-5-4-8-15(16)17(21)19-11-14-20-12-6-3-7-13-20/h4-5,8-9,18H,2-3,6-7,10-14H2,1H3,(H,19,21)
InChIKeyOZRFMTOMUZHEBO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.72
Rot. Bonds7

About N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide

N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide (PubChem CID 62175413) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
PubChem CID62175413
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C17H27N3O/c1-2-10-18-16-9-5-4-8-15(16)17(21)19-11-14-20-12-6-3-7-13-20/h4-5,8-9,18H,2-3,6-7,10-14H2,1H3,(H,19,21)
InChIKeyOZRFMTOMUZHEBO-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
4-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 81240630
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492
2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 62174346
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
2-(2-bromoethylamino)-N-propylbenzamide
CID 11066007
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 61377470
2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 123586173
N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
CID 62178281

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide (CID 62175413) is N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)NCCN1CCCCC1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide?
The InChIKey is OZRFMTOMUZHEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-10-18-16-9-5-4-8-15(16)17(21)19-11-14-20-12-6-3-7-13-20/h4-5,8-9,18H,2-3,6-7,10-14H2,1H3,(H,19,21).
What are the key properties of N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide?
N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide is sourced from PubChem (CID 62175413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).