N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C19H33FN4O2 — CID 167348681

IUPACN-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)NC3CCCN(CC(=O)N(C)C)C3)NC12
InChIInChI=1S/C19H33FN4O2/c1-12-6-7-15(20)14-9-16(22-18(12)14)19(26)21-13-5-4-8-24(10-13)11-17(25)23(2)3/h12-16,18,22H,4-11H2,1-3H3,(H,21,26)
InChIKeyJSUJROLVISMTRI-UHFFFAOYSA-N
MW368.50 g/mol
LogP0.77
Rot. Bonds4

About N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 167348681) has the molecular formula C19H33FN4O2 and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID167348681
Molecular FormulaC19H33FN4O2
Molecular Weight368.50 g/mol
Exact Mass368.26
IUPAC NameN-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCC1CCC(F)C2CC(C(=O)NC3CCCN(CC(=O)N(C)C)C3)NC12
InChIInChI=1S/C19H33FN4O2/c1-12-6-7-15(20)14-9-16(22-18(12)14)19(26)21-13-5-4-8-24(10-13)11-17(25)23(2)3/h12-16,18,22H,4-11H2,1-3H3,(H,21,26)
InChIKeyJSUJROLVISMTRI-UHFFFAOYSA-N
XLogP0.77
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 167348681) is N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CC1CCC(F)C2CC(C(=O)NC3CCCN(CC(=O)N(C)C)C3)NC12.
What is the InChIKey of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is JSUJROLVISMTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FN4O2/c1-12-6-7-15(20)14-9-16(22-18(12)14)19(26)21-13-5-4-8-24(10-13)11-17(25)23(2)3/h12-16,18,22H,4-11H2,1-3H3,(H,21,26).
What are the key properties of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167348681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).