N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide

C20H32N4O2 — CID 163067858

IUPACN-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N2CCC(CO)N(C)c3nc(C)ccc3C2)CC1
InChIInChI=1S/C20H32N4O2/c1-14-4-5-16-12-24(11-10-19(13-25)23(3)20(16)21-14)18-8-6-17(7-9-18)22-15(2)26/h4-5,17-19,25H,6-13H2,1-3H3,(H,22,26)
InChIKeyFSNSFTKQUPLYOM-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.84
Rot. Bonds3

About N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide

N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide (PubChem CID 163067858) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide
PubChem CID163067858
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N2CCC(CO)N(C)c3nc(C)ccc3C2)CC1
InChIInChI=1S/C20H32N4O2/c1-14-4-5-16-12-24(11-10-19(13-25)23(3)20(16)21-14)18-8-6-17(7-9-18)22-15(2)26/h4-5,17-19,25H,6-13H2,1-3H3,(H,22,26)
InChIKeyFSNSFTKQUPLYOM-UHFFFAOYSA-N
XLogP1.84
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclobutyl-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl)methanol
CID 162821718
[(2S)-1,9-dimethyl-5-(oxetan-3-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529272
[(2S)-1,9-dimethyl-5-(3-methylbutyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529256
[5-[(4-fluorophenyl)methyl]-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 162809588
[(2S)-5-(furan-2-ylmethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529281
[1-methyl-5-(oxan-4-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 162792765
[(2S)-1,9-dimethyl-5-(quinolin-3-ylmethyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 100654194
[1-methyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol
CID 162793100
N-cyclopropyl-1-(cyclopropylmethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 118743546
N-[4-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]cyclohexyl]acetamide
CID 86802047
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea
CID 86803583
N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 67125808

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide (CID 163067858) is N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide is CC(=O)NC1CCC(N2CCC(CO)N(C)c3nc(C)ccc3C2)CC1.
What is the InChIKey of N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide?
The InChIKey is FSNSFTKQUPLYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-14-4-5-16-12-24(11-10-19(13-25)23(3)20(16)21-14)18-8-6-17(7-9-18)22-15(2)26/h4-5,17-19,25H,6-13H2,1-3H3,(H,22,26).
What are the key properties of N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide?
N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide has a molecular weight of 360.50 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hydroxymethyl)-1,9-dimethyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-5-yl]cyclohexyl]acetamide is sourced from PubChem (CID 163067858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).