N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide

C21H22F2N4O — CID 113109798

IUPACN-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H22F2N4O/c22-18-6-5-16(13-19(18)23)25-21(28)27-11-9-26(10-12-27)8-7-15-14-24-20-4-2-1-3-17(15)20/h1-6,13-14,24H,7-12H2,(H,25,28)
InChIKeyXZKYAKOAVZTDDU-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.84
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide

N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 113109798) has the molecular formula C21H22F2N4O and a molecular weight of 384.43 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID113109798
Molecular FormulaC21H22F2N4O
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC NameN-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H22F2N4O/c22-18-6-5-16(13-19(18)23)25-21(28)27-11-9-26(10-12-27)8-7-15-14-24-20-4-2-1-3-17(15)20/h1-6,13-14,24H,7-12H2,(H,25,28)
InChIKeyXZKYAKOAVZTDDU-UHFFFAOYSA-N
XLogP3.84
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109787
4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113109783
N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397485
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397486
N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109794
N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110616503
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106929
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide (CID 113109798) is N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide is O=C(Nc1ccc(F)c(F)c1)N1CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is XZKYAKOAVZTDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O/c22-18-6-5-16(13-19(18)23)25-21(28)27-11-9-26(10-12-27)8-7-15-14-24-20-4-2-1-3-17(15)20/h1-6,13-14,24H,7-12H2,(H,25,28).
What are the key properties of N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).