3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide

C23H34N4O2 — CID 91957995

IUPAC3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
SMILESCc1ccc2c(cnn2CCC(=O)NCC2(CN3CCCCC3)CCOCC2)c1
InChIInChI=1S/C23H34N4O2/c1-19-5-6-21-20(15-19)16-25-27(21)12-7-22(28)24-17-23(8-13-29-14-9-23)18-26-10-3-2-4-11-26/h5-6,15-16H,2-4,7-14,17-18H2,1H3,(H,24,28)
InChIKeyJXENFGBHHAGXNZ-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.13
Rot. Bonds7

About 3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide

3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide (PubChem CID 91957995) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
PubChem CID91957995
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
SMILESCc1ccc2c(cnn2CCC(=O)NCC2(CN3CCCCC3)CCOCC2)c1
InChIInChI=1S/C23H34N4O2/c1-19-5-6-21-20(15-19)16-25-27(21)12-7-22(28)24-17-23(8-13-29-14-9-23)18-26-10-3-2-4-11-26/h5-6,15-16H,2-4,7-14,17-18H2,1H3,(H,24,28)
InChIKeyJXENFGBHHAGXNZ-UHFFFAOYSA-N
XLogP3.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide
CID 91957844
3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
CID 91958003
2,6-dimethyl-3-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-4H-1,4-benzoxazine-2-carboxamide
CID 91957994
5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91957981
6-methyl-2-piperidin-1-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957643
(3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 100815599
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 31328500
5-methyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]thiophene-2-carboxamide
CID 91957741
2,6-dimethyl-3-oxo-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-4H-1,4-benzoxazine-2-carboxamide
CID 91957139
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95754598
3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide
CID 91957375
methyl 1,5-dimethyl-4-[3-(5-methylindazol-1-yl)propanoylamino]pyrazole-3-carboxylate
CID 95748276

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide?
The IUPAC name of 3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide (CID 91957995) is 3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide?
The canonical SMILES for 3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide is Cc1ccc2c(cnn2CCC(=O)NCC2(CN3CCCCC3)CCOCC2)c1.
What is the InChIKey of 3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide?
The InChIKey is JXENFGBHHAGXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-19-5-6-21-20(15-19)16-25-27(21)12-7-22(28)24-17-23(8-13-29-14-9-23)18-26-10-3-2-4-11-26/h5-6,15-16H,2-4,7-14,17-18H2,1H3,(H,24,28).
What are the key properties of 3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide?
3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide has a molecular weight of 398.55 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylindazol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide is sourced from PubChem (CID 91957995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).