N-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide

C19H26F2N4O2 — CID 143821319

IUPACN-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide
SMILESCC1(C)C(=O)N(CCNC(=O)C(F)F)c2cc(NC3CCCNC3)ccc21
InChIInChI=1S/C19H26F2N4O2/c1-19(2)14-6-5-12(24-13-4-3-7-22-11-13)10-15(14)25(18(19)27)9-8-23-17(26)16(20)21/h5-6,10,13,16,22,24H,3-4,7-9,11H2,1-2H3,(H,23,26)
InChIKeyHCAOUWLNWBAPBE-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.86
Rot. Bonds6

About N-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide

N-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide (PubChem CID 143821319) has the molecular formula C19H26F2N4O2 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide
PubChem CID143821319
Molecular FormulaC19H26F2N4O2
Molecular Weight380.44 g/mol
Exact Mass380.20
IUPAC NameN-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide
SMILESCC1(C)C(=O)N(CCNC(=O)C(F)F)c2cc(NC3CCCNC3)ccc21
InChIInChI=1S/C19H26F2N4O2/c1-19(2)14-6-5-12(24-13-4-3-7-22-11-13)10-15(14)25(18(19)27)9-8-23-17(26)16(20)21/h5-6,10,13,16,22,24H,3-4,7-9,11H2,1-2H3,(H,23,26)
InChIKeyHCAOUWLNWBAPBE-UHFFFAOYSA-N
XLogP1.86
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2,2-difluoroacetyl)amino]ethyl]-3-oxo-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclopropane]-6-carboxamide
CID 87427601
tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate
CID 107244669
N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 135206076
N-methyl-4-(piperidin-3-ylamino)pyridine-2-carboxamide
CID 63319202
methyl N-[2-[(2S)-2-(3,5-difluorophenyl)-2-methyl-3-oxo-6-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]-1,4-benzoxazin-4-yl]ethyl]carbamate
CID 51353897
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride
CID 119429101
N-piperidin-3-yl-2-propan-2-ylpyridin-4-amine
CID 83837395
(3R)-N-(4-bromophenyl)piperidin-3-amine
CID 167150993
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428204
3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175880586
N-(4-chloro-3-methoxyphenyl)piperidin-3-amine
CID 107621326

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide (CID 143821319) is N-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide is CC1(C)C(=O)N(CCNC(=O)C(F)F)c2cc(NC3CCCNC3)ccc21.
What is the InChIKey of N-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide?
The InChIKey is HCAOUWLNWBAPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O2/c1-19(2)14-6-5-12(24-13-4-3-7-22-11-13)10-15(14)25(18(19)27)9-8-23-17(26)16(20)21/h5-6,10,13,16,22,24H,3-4,7-9,11H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide?
N-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide has a molecular weight of 380.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,3-dimethyl-2-oxo-6-(piperidin-3-ylamino)indol-1-yl]ethyl]-2,2-difluoroacetamide is sourced from PubChem (CID 143821319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).