4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

C22H27FN4O2 — CID 60516211

IUPAC4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1
InChIInChI=1S/C22H27FN4O2/c1-25(2)22(29)27-11-7-16(8-12-27)21(28)26-9-5-15(6-10-26)19-14-24-20-13-17(23)3-4-18(19)20/h3-5,13-14,16,24H,6-12H2,1-2H3
InChIKeyNCMVNSULODAHSH-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.32
Rot. Bonds2

About 4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 60516211) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID60516211
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1
InChIInChI=1S/C22H27FN4O2/c1-25(2)22(29)27-11-7-16(8-12-27)21(28)26-9-5-15(6-10-26)19-14-24-20-13-17(23)3-4-18(19)20/h3-5,13-14,16,24H,6-12H2,1-2H3
InChIKeyNCMVNSULODAHSH-UHFFFAOYSA-N
XLogP3.32
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide with MolForge

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Related Compounds

(5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 95045762
(4S)-4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazolidin-2-one
CID 124505944
4-(6-fluoro-1H-indol-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113087048
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfanylpropan-1-one
CID 56815883
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 60516414
(2-chlorophenyl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113087028
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 75452399
2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 56813191
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040
cyclopropyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 39545624
(2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 52532061
3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one
CID 60516238

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide (CID 60516211) is 4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1.
What is the InChIKey of 4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is NCMVNSULODAHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-25(2)22(29)27-11-7-16(8-12-27)21(28)26-9-5-15(6-10-26)19-14-24-20-13-17(23)3-4-18(19)20/h3-5,13-14,16,24H,6-12H2,1-2H3.
What are the key properties of 4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 60516211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).