N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide

C19H21ClFN3OS — CID 24736849

IUPACN-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)s2)CC1)N1CCc2cc(F)ccc21
InChIInChI=1S/C19H21ClFN3OS/c20-18-4-2-16(26-18)12-23-8-6-15(7-9-23)22-19(25)24-10-5-13-11-14(21)1-3-17(13)24/h1-4,11,15H,5-10,12H2,(H,22,25)
InChIKeyMZKRCMQNQGDVPI-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.28
Rot. Bonds3

About N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide

N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide (PubChem CID 24736849) has the molecular formula C19H21ClFN3OS and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide
PubChem CID24736849
Molecular FormulaC19H21ClFN3OS
Molecular Weight393.92 g/mol
Exact Mass393.11
IUPAC NameN-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)s2)CC1)N1CCc2cc(F)ccc21
InChIInChI=1S/C19H21ClFN3OS/c20-18-4-2-16(26-18)12-23-8-6-15(7-9-23)22-19(25)24-10-5-13-11-14(21)1-3-17(13)24/h1-4,11,15H,5-10,12H2,(H,22,25)
InChIKeyMZKRCMQNQGDVPI-UHFFFAOYSA-N
XLogP4.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide (CID 24736849) is N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide is O=C(NC1CCN(Cc2ccc(Cl)s2)CC1)N1CCc2cc(F)ccc21.
What is the InChIKey of N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide?
The InChIKey is MZKRCMQNQGDVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3OS/c20-18-4-2-16(26-18)12-23-8-6-15(7-9-23)22-19(25)24-10-5-13-11-14(21)1-3-17(13)24/h1-4,11,15H,5-10,12H2,(H,22,25).
What are the key properties of N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide?
N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide has a molecular weight of 393.92 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 24736849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).