N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide

C16H19FN4O2 — CID 56807656

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)c2cc3c(F)cccc3[nH]2)CC1
InChIInChI=1S/C16H19FN4O2/c17-12-2-1-3-13-11(12)8-14(20-13)16(23)19-10-4-6-21(7-5-10)9-15(18)22/h1-3,8,10,20H,4-7,9H2,(H2,18,22)(H,19,23)
InChIKeyQWOPFCLUVIQIRE-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.99
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide (PubChem CID 56807656) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide
PubChem CID56807656
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)c2cc3c(F)cccc3[nH]2)CC1
InChIInChI=1S/C16H19FN4O2/c17-12-2-1-3-13-11(12)8-14(20-13)16(23)19-10-4-6-21(7-5-10)9-15(18)22/h1-3,8,10,20H,4-7,9H2,(H2,18,22)(H,19,23)
InChIKeyQWOPFCLUVIQIRE-UHFFFAOYSA-N
XLogP0.99
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(4-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 134010426
4-fluoro-N-(4-methylcyclohexyl)-1H-indole-2-carboxamide
CID 47151029
N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 31401736
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(4-fluorophenoxy)-1H-indole-2-carboxamide
CID 59600126
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(3,5-difluorophenoxy)-1H-indole-2-carboxamide
CID 59600234
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63627169
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
CID 43700629
4-bromo-N-[1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 66841447
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 134047741
4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid
CID 160521933

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide (CID 56807656) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide is NC(=O)CN1CCC(NC(=O)c2cc3c(F)cccc3[nH]2)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide?
The InChIKey is QWOPFCLUVIQIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-12-2-1-3-13-11(12)8-14(20-13)16(23)19-10-4-6-21(7-5-10)9-15(18)22/h1-3,8,10,20H,4-7,9H2,(H2,18,22)(H,19,23).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 56807656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).