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

C15H21N3O — CID 103998661

IUPACN-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN1CCCC(NC(=O)c2ccc3c(c2)CNC3)C1
InChIInChI=1S/C15H21N3O/c1-18-6-2-3-14(10-18)17-15(19)11-4-5-12-8-16-9-13(12)7-11/h4-5,7,14,16H,2-3,6,8-10H2,1H3,(H,17,19)
InChIKeyPJRFCRIEKJCFJJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.11
Rot. Bonds2

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

N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998661) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998661
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN1CCCC(NC(=O)c2ccc3c(c2)CNC3)C1
InChIInChI=1S/C15H21N3O/c1-18-6-2-3-14(10-18)17-15(19)11-4-5-12-8-16-9-13(12)7-11/h4-5,7,14,16H,2-3,6,8-10H2,1H3,(H,17,19)
InChIKeyPJRFCRIEKJCFJJ-UHFFFAOYSA-N
XLogP1.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998614
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 47422175
3-bromo-4-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 103707349
[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate
CID 150279764
N-(1-methylpiperidin-3-yl)-1H-indazole-6-carboxamide
CID 55133135
N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide
CID 22933430
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 81458784
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998661) is N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide is CN1CCCC(NC(=O)c2ccc3c(c2)CNC3)C1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is PJRFCRIEKJCFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-6-2-3-14(10-18)17-15(19)11-4-5-12-8-16-9-13(12)7-11/h4-5,7,14,16H,2-3,6,8-10H2,1H3,(H,17,19).
What are the key properties of N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).