N-piperidin-4-yl-2H-isoindole-4-carboxamide

C14H17N3O — CID 175803633

IUPACN-piperidin-4-yl-2H-isoindole-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cccc2c[nH]cc12
InChIInChI=1S/C14H17N3O/c18-14(17-11-4-6-15-7-5-11)12-3-1-2-10-8-16-9-13(10)12/h1-3,8-9,11,15-16H,4-7H2,(H,17,18)
InChIKeyQGVKKAYGZDGQNZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.65
Rot. Bonds2

About N-piperidin-4-yl-2H-isoindole-4-carboxamide

N-piperidin-4-yl-2H-isoindole-4-carboxamide (PubChem CID 175803633) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-piperidin-4-yl-2H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-2H-isoindole-4-carboxamide
PubChem CID175803633
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-piperidin-4-yl-2H-isoindole-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cccc2c[nH]cc12
InChIInChI=1S/C14H17N3O/c18-14(17-11-4-6-15-7-5-11)12-3-1-2-10-8-16-9-13(10)12/h1-3,8-9,11,15-16H,4-7H2,(H,17,18)
InChIKeyQGVKKAYGZDGQNZ-UHFFFAOYSA-N
XLogP1.65
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(azepan-4-yl)-1H-indole-4-carboxamide
CID 107172324
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349
2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387158
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide
CID 112530853
2-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 139966518
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
N-(azepan-4-yl)-2,3-dimethylbenzamide
CID 105060973
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-2H-isoindole-4-carboxamide?
The IUPAC name of N-piperidin-4-yl-2H-isoindole-4-carboxamide (CID 175803633) is N-piperidin-4-yl-2H-isoindole-4-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-2H-isoindole-4-carboxamide?
The canonical SMILES for N-piperidin-4-yl-2H-isoindole-4-carboxamide is O=C(NC1CCNCC1)c1cccc2c[nH]cc12.
What is the InChIKey of N-piperidin-4-yl-2H-isoindole-4-carboxamide?
The InChIKey is QGVKKAYGZDGQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14(17-11-4-6-15-7-5-11)12-3-1-2-10-8-16-9-13(10)12/h1-3,8-9,11,15-16H,4-7H2,(H,17,18).
What are the key properties of N-piperidin-4-yl-2H-isoindole-4-carboxamide?
N-piperidin-4-yl-2H-isoindole-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2H-isoindole-4-carboxamide is sourced from PubChem (CID 175803633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).