7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide

C23H32FN3O2 — CID 176933760

IUPAC7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)C(=O)N1CCCC(c2cc(C(C)C)c3cc(C(=O)N(C)C)[nH]c3c2F)C1
InChIInChI=1S/C23H32FN3O2/c1-13(2)16-10-17(15-8-7-9-27(12-15)22(28)14(3)4)20(24)21-18(16)11-19(25-21)23(29)26(5)6/h10-11,13-15,25H,7-9,12H2,1-6H3
InChIKeyWPOWDHNABKGTJD-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.49
Rot. Bonds4

About 7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide

7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 176933760) has the molecular formula C23H32FN3O2 and a molecular weight of 401.53 g/mol. Its IUPAC name is 7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide
PubChem CID176933760
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC Name7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)C(=O)N1CCCC(c2cc(C(C)C)c3cc(C(=O)N(C)C)[nH]c3c2F)C1
InChIInChI=1S/C23H32FN3O2/c1-13(2)16-10-17(15-8-7-9-27(12-15)22(28)14(3)4)20(24)21-18(16)11-19(25-21)23(29)26(5)6/h10-11,13-15,25H,7-9,12H2,1-6H3
InChIKeyWPOWDHNABKGTJD-UHFFFAOYSA-N
XLogP4.49
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide with MolForge

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Related Compounds

1-[(3S)-3-[2-(azetidine-1-carbonyl)-7-fluoro-4-propan-2-yl-1H-indol-6-yl]piperidin-1-yl]ethanone
CID 176933666
7-fluoro-N-methyl-4-propan-2-yl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
CID 176931616
4-chloro-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 177171027
1-[(3S)-3-[7-fluoro-2-(piperidine-1-carbonyl)-4-propan-2-yl-1H-indol-6-yl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 176931731
1-[3-[2-(azetidine-1-carbonyl)-4-ethyl-7-fluoro-1H-indol-6-yl]piperidin-1-yl]-3-(1,5-dihydropyrazol-2-yl)propan-1-one
CID 176932415
4-[4-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[(3S)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 176931981
7-fluoro-N,N-dimethyl-6-[1-[(2S)-2-methyl-3-pyrazol-1-ylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-4-propan-2-yl-1H-indole-2-carboxamide
CID 176932490
4-chloro-7-fluoro-6-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxylic acid
CID 177170580
6-[(3R)-1-acetylpiperidin-3-yl]-4-[4-[2-[2-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]ethynyl]-2-methoxyphenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide
CID 176932148
4-[4-(3,3-difluoropiperidin-4-yl)-2-fluorophenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176933445
4-[4-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluoro-5-methoxyphenyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[(3R)-1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1H-indole-2-carboxamide
CID 176932201
1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one
CID 58812206

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide (CID 176933760) is 7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide is CC(C)C(=O)N1CCCC(c2cc(C(C)C)c3cc(C(=O)N(C)C)[nH]c3c2F)C1.
What is the InChIKey of 7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is WPOWDHNABKGTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O2/c1-13(2)16-10-17(15-8-7-9-27(12-15)22(28)14(3)4)20(24)21-18(16)11-19(25-21)23(29)26(5)6/h10-11,13-15,25H,7-9,12H2,1-6H3.
What are the key properties of 7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide?
7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 176933760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).