N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide

C16H23N3O — CID 103998614

IUPACN-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCCN1CCC(NC(=O)c2ccc3c(c2)CNC3)CC1
InChIInChI=1S/C16H23N3O/c1-2-19-7-5-15(6-8-19)18-16(20)12-3-4-13-10-17-11-14(13)9-12/h3-4,9,15,17H,2,5-8,10-11H2,1H3,(H,18,20)
InChIKeyCRBWYWNNMQXYGG-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.50
Rot. Bonds3

About N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998614) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998614
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCCN1CCC(NC(=O)c2ccc3c(c2)CNC3)CC1
InChIInChI=1S/C16H23N3O/c1-2-19-7-5-15(6-8-19)18-16(20)12-3-4-13-10-17-11-14(13)9-12/h3-4,9,15,17H,2,5-8,10-11H2,1H3,(H,18,20)
InChIKeyCRBWYWNNMQXYGG-UHFFFAOYSA-N
XLogP1.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998661
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489063
N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999041
4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide
CID 17449412
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
N-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998667
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998614) is N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide is CCN1CCC(NC(=O)c2ccc3c(c2)CNC3)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is CRBWYWNNMQXYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-19-7-5-15(6-8-19)18-16(20)12-3-4-13-10-17-11-14(13)9-12/h3-4,9,15,17H,2,5-8,10-11H2,1H3,(H,18,20).
What are the key properties of N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).