[5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

C22H39N5O — CID 45161493

IUPAC[5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCCN(CC)CCN(C)C1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1
InChIInChI=1S/C22H39N5O/c1-5-25(6-2)16-15-24(4)18-11-12-20-19(17-18)21(23-27(20)7-3)22(28)26-13-9-8-10-14-26/h18H,5-17H2,1-4H3
InChIKeyOYBLXSWGCYDIMP-UHFFFAOYSA-N
MW389.59 g/mol
LogP2.66
Rot. Bonds8

About [5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

[5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 45161493) has the molecular formula C22H39N5O and a molecular weight of 389.59 g/mol. Its IUPAC name is [5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
PubChem CID45161493
Molecular FormulaC22H39N5O
Molecular Weight389.59 g/mol
Exact Mass389.32
IUPAC Name[5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCCN(CC)CCN(C)C1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1
InChIInChI=1S/C22H39N5O/c1-5-25(6-2)16-15-24(4)18-11-12-20-19(17-18)21(23-27(20)7-3)22(28)26-13-9-8-10-14-26/h18H,5-17H2,1-4H3
InChIKeyOYBLXSWGCYDIMP-UHFFFAOYSA-N
XLogP2.66
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[butyl(methyl)amino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45164216
azepan-1-yl-[1-ethyl-5-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45164525
[5-[bis(prop-2-enyl)amino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45163700
[1-ethyl-5-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45164597
[5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45162163
[(5S)-5-[butyl(methyl)amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26228411
azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26228789
[5-(cyclooctylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45165260
(1-ethyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazol-3-yl)-piperidin-1-ylmethanone
CID 45164151
[(5R)-1-ethyl-5-(2-piperidin-1-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 29124255
[5-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45161185
azepan-1-yl-[1-ethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45162740

Frequently Asked Questions

What is the IUPAC name of [5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (CID 45161493) is [5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is CCN(CC)CCN(C)C1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1.
What is the InChIKey of [5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is OYBLXSWGCYDIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N5O/c1-5-25(6-2)16-15-24(4)18-11-12-20-19(17-18)21(23-27(20)7-3)22(28)26-13-9-8-10-14-26/h18H,5-17H2,1-4H3.
What are the key properties of [5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
[5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 389.59 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(diethylamino)ethyl-methylamino]-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 45161493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).