[(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone

C18H24N4O2 — CID 97332173

IUPAC[(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1CCCN(Cc2cccc3cn[nH]c23)C1)N1CCOCC1
InChIInChI=1S/C18H24N4O2/c23-18(22-7-9-24-10-8-22)16-5-2-6-21(13-16)12-15-4-1-3-14-11-19-20-17(14)15/h1,3-4,11,16H,2,5-10,12-13H2,(H,19,20)/t16-/m0/s1
InChIKeyNAEOUMAGRBMYSU-INIZCTEOSA-N
MW328.42 g/mol
LogP1.63
Rot. Bonds3

About [(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone

[(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 97332173) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID97332173
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1CCCN(Cc2cccc3cn[nH]c23)C1)N1CCOCC1
InChIInChI=1S/C18H24N4O2/c23-18(22-7-9-24-10-8-22)16-5-2-6-21(13-16)12-15-4-1-3-14-11-19-20-17(14)15/h1,3-4,11,16H,2,5-10,12-13H2,(H,19,20)/t16-/m0/s1
InChIKeyNAEOUMAGRBMYSU-INIZCTEOSA-N
XLogP1.63
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488606
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
[(3R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 51728064
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163351854
[(3S)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 41305841
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid
CID 167919240
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920515
[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163352828

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 97332173) is [(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone is O=C([C@H]1CCCN(Cc2cccc3cn[nH]c23)C1)N1CCOCC1.
What is the InChIKey of [(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is NAEOUMAGRBMYSU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(22-7-9-24-10-8-22)16-5-2-6-21(13-16)12-15-4-1-3-14-11-19-20-17(14)15/h1,3-4,11,16H,2,5-10,12-13H2,(H,19,20)/t16-/m0/s1.
What are the key properties of [(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone?
[(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 328.42 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97332173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).