1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide

C19H25N3O2 — CID 118788686

IUPAC1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide
SMILESCn1ccc2c(C(=O)N[C@H]3COC[C@@H]3N3CCCCC3)cccc21
InChIInChI=1S/C19H25N3O2/c1-21-11-8-14-15(6-5-7-17(14)21)19(23)20-16-12-24-13-18(16)22-9-3-2-4-10-22/h5-8,11,16,18H,2-4,9-10,12-13H2,1H3,(H,20,23)/t16-,18-/m0/s1
InChIKeyUHAGSOZYGRNVDQ-WMZOPIPTSA-N
MW327.43 g/mol
LogP2.16
Rot. Bonds3

About 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide

1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide (PubChem CID 118788686) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide
PubChem CID118788686
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide
SMILESCn1ccc2c(C(=O)N[C@H]3COC[C@@H]3N3CCCCC3)cccc21
InChIInChI=1S/C19H25N3O2/c1-21-11-8-14-15(6-5-7-17(14)21)19(23)20-16-12-24-13-18(16)22-9-3-2-4-10-22/h5-8,11,16,18H,2-4,9-10,12-13H2,1H3,(H,20,23)/t16-,18-/m0/s1
InChIKeyUHAGSOZYGRNVDQ-WMZOPIPTSA-N
XLogP2.16
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide (CID 118788686) is 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide is Cn1ccc2c(C(=O)N[C@H]3COC[C@@H]3N3CCCCC3)cccc21.
What is the InChIKey of 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide?
The InChIKey is UHAGSOZYGRNVDQ-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21-11-8-14-15(6-5-7-17(14)21)19(23)20-16-12-24-13-18(16)22-9-3-2-4-10-22/h5-8,11,16,18H,2-4,9-10,12-13H2,1H3,(H,20,23)/t16-,18-/m0/s1.
What are the key properties of 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide?
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide is sourced from PubChem (CID 118788686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).