N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide

C19H29FN4O2 — CID 166601087

IUPACN-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(Cc2n[nH]c3c2CCCC3)CC1)C1CCOC1
InChIInChI=1S/C19H29FN4O2/c20-19(13-21-18(25)14-5-10-26-12-14)6-8-24(9-7-19)11-17-15-3-1-2-4-16(15)22-23-17/h14H,1-13H2,(H,21,25)(H,22,23)
InChIKeyZHTGBESUQCGQTE-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.75
Rot. Bonds5

About N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 166601087) has the molecular formula C19H29FN4O2 and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID166601087
Molecular FormulaC19H29FN4O2
Molecular Weight364.47 g/mol
Exact Mass364.23
IUPAC NameN-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(Cc2n[nH]c3c2CCCC3)CC1)C1CCOC1
InChIInChI=1S/C19H29FN4O2/c20-19(13-21-18(25)14-5-10-26-12-14)6-8-24(9-7-19)11-17-15-3-1-2-4-16(15)22-23-17/h14H,1-13H2,(H,21,25)(H,22,23)
InChIKeyZHTGBESUQCGQTE-UHFFFAOYSA-N
XLogP1.75
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide with MolForge

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Related Compounds

Sdccgsbi-0114447.P001
CID 45229566
4-(fluoromethyl)-1-{1-[(4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl]piperidin-4-yl}pyrrolidin-2-one
CID 126899874
N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 138036004
1-(2,2-difluoroethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide
CID 138036025
N-({4-fluoro-1-[(4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl]piperidin-4-yl}methyl)cyclopropanecarboxamide
CID 166605020
1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-3-piperidinecarboxamide
CID 45200150
1-(2-methoxyethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 50980632
3-cyclobutyl-5-(3-morpholinylacetyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 56911757
(3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide
CID 30956985
(3R)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide
CID 30956988
[3-(1-adamantyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3R)-oxolan-3-yl]methanone
CID 31134781
[3-(1-adamantyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-oxolan-3-yl]methanone
CID 31134782

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 166601087) is N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide is O=C(NCC1(F)CCN(Cc2n[nH]c3c2CCCC3)CC1)C1CCOC1.
What is the InChIKey of N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is ZHTGBESUQCGQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O2/c20-19(13-21-18(25)14-5-10-26-12-14)6-8-24(9-7-19)11-17-15-3-1-2-4-16(15)22-23-17/h14H,1-13H2,(H,21,25)(H,22,23).
What are the key properties of N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 166601087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).