4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide

C16H18FN3O3S — CID 167801887

IUPAC4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(C(N)=O)CC3)sc2c1F
InChIInChI=1S/C16H18FN3O3S/c1-23-11-3-2-9-8-12(24-14(9)13(11)17)15(21)19-10-4-6-20(7-5-10)16(18)22/h2-3,8,10H,4-7H2,1H3,(H2,18,22)(H,19,21)
InChIKeyOBGZNUXTGYVFIK-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.32
Rot. Bonds3

About 4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide

4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide (PubChem CID 167801887) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide
PubChem CID167801887
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(C(N)=O)CC3)sc2c1F
InChIInChI=1S/C16H18FN3O3S/c1-23-11-3-2-9-8-12(24-14(9)13(11)17)15(21)19-10-4-6-20(7-5-10)16(18)22/h2-3,8,10H,4-7H2,1H3,(H2,18,22)(H,19,21)
InChIKeyOBGZNUXTGYVFIK-UHFFFAOYSA-N
XLogP2.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-6-methoxy-N-[(3R)-spiro[1-azabicyclo[2.2.1]heptane-2,1'-cyclopropane]-3-yl]-1-benzothiophene-2-carboxamide
CID 139541776
(4S)-4-[[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoyl]amino]azepane-1-carboxamide
CID 173213521
ethyl 4-[(7-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 46249798
4-(2,4-dimethoxyanilino)piperidine-1-carboxamide
CID 43758070
4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide
CID 43758136
N-(4-hydroxycyclohexyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 171781598
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 112804142
5-ethyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide
CID 55957736
4-[[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxamide
CID 11431395
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935704
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935670

Frequently Asked Questions

What is the IUPAC name of 4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide?
The IUPAC name of 4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide (CID 167801887) is 4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide is COc1ccc2cc(C(=O)NC3CCN(C(N)=O)CC3)sc2c1F.
What is the InChIKey of 4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide?
The InChIKey is OBGZNUXTGYVFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-23-11-3-2-9-8-12(24-14(9)13(11)17)15(21)19-10-4-6-20(7-5-10)16(18)22/h2-3,8,10H,4-7H2,1H3,(H2,18,22)(H,19,21).
What are the key properties of 4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide?
4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-fluoro-6-methoxy-1-benzothiophene-2-carbonyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 167801887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).