5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide

C23H26FN3O — CID 13490832

IUPAC5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C23H26FN3O/c1-15-22(20-14-18(24)8-9-21(20)25-15)23(28)26-19-10-12-27(13-11-19)16(2)17-6-4-3-5-7-17/h3-9,14,16,19,25H,10-13H2,1-2H3,(H,26,28)
InChIKeyNJCVCLMRMJLWTG-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.57
Rot. Bonds4

About 5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide

5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide (PubChem CID 13490832) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide
PubChem CID13490832
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)NC1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C23H26FN3O/c1-15-22(20-14-18(24)8-9-21(20)25-15)23(28)26-19-10-12-27(13-11-19)16(2)17-6-4-3-5-7-17/h3-9,14,16,19,25H,10-13H2,1-2H3,(H,26,28)
InChIKeyNJCVCLMRMJLWTG-UHFFFAOYSA-N
XLogP4.57
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110625091
N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110625213
3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119041844
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
5-fluoro-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-methyl-1H-indole-3-carboxamide
CID 110621734
5-(2-hydroxypropan-2-yl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide;hydrochloride
CID 70490777
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
[2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]carbamoyl]-1H-indol-5-yl] acetate
CID 23326408
N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide
CID 138058182
5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide
CID 110614865
1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 119879171

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide?
The IUPAC name of 5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide (CID 13490832) is 5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide is Cc1[nH]c2ccc(F)cc2c1C(=O)NC1CCN(C(C)c2ccccc2)CC1.
What is the InChIKey of 5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide?
The InChIKey is NJCVCLMRMJLWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-15-22(20-14-18(24)8-9-21(20)25-15)23(28)26-19-10-12-27(13-11-19)16(2)17-6-4-3-5-7-17/h3-9,14,16,19,25H,10-13H2,1-2H3,(H,26,28).
What are the key properties of 5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide?
5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 13490832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).