N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide

C23H41N3O3 — CID 20871755

IUPACN-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC(C)C(=O)CC(NC(=O)CN1CCC(CN2CCCCC2)CC1)C(=O)C(C)C
InChIInChI=1S/C23H41N3O3/c1-17(2)21(27)14-20(23(29)18(3)4)24-22(28)16-26-12-8-19(9-13-26)15-25-10-6-5-7-11-25/h17-20H,5-16H2,1-4H3,(H,24,28)
InChIKeyKRPMYLTZGLYJCL-UHFFFAOYSA-N
MW407.60 g/mol
LogP2.51
Rot. Bonds10

About N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide

N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 20871755) has the molecular formula C23H41N3O3 and a molecular weight of 407.60 g/mol. Its IUPAC name is N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID20871755
Molecular FormulaC23H41N3O3
Molecular Weight407.60 g/mol
Exact Mass407.31
IUPAC NameN-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC(C)C(=O)CC(NC(=O)CN1CCC(CN2CCCCC2)CC1)C(=O)C(C)C
InChIInChI=1S/C23H41N3O3/c1-17(2)21(27)14-20(23(29)18(3)4)24-22(28)16-26-12-8-19(9-13-26)15-25-10-6-5-7-11-25/h17-20H,5-16H2,1-4H3,(H,24,28)
InChIKeyKRPMYLTZGLYJCL-UHFFFAOYSA-N
XLogP2.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide with MolForge

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Related Compounds

cyclo[Aoda-Asp(tBu)(tBu)-Ile-D-Pip]
CID 56675096
N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanecarboxamide
CID 3237241
cyclo[Aoda-Asp(decyl)(decyl)-Ile-D-Pip]
CID 56668202
4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide
CID 3238870
4-methyl-N-(3-methyl-1-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243893
(2S)-2,6-diamino-1-[4-(1-pentadecylpiperidin-4-yl)piperidin-1-yl]hexan-1-one
CID 44592906
1-[4-[1-[(2S)-2,6-diaminohexanoyl]piperidin-4-yl]piperidin-1-yl]pentadecan-1-one
CID 44592922
4-ethyl-N-(3-methyl-1-{[3-(2-methylpiperidin-1-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 16187660
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-cyclooctylethyl)propanamide
CID 49854189
(2S)-2,6-diamino-N-[2-[4-(1-pentadecylpiperidin-4-yl)piperidin-1-yl]ethyl]hexanamide
CID 44592921
(2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 11912128
N-[(3-fluorocyclohexyl)methyl]-5-(1-methyl-6-oxopiperidin-3-yl)piperidine-2-carboxamide
CID 155699977

Frequently Asked Questions

What is the IUPAC name of N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide (CID 20871755) is N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide is CC(C)C(=O)CC(NC(=O)CN1CCC(CN2CCCCC2)CC1)C(=O)C(C)C.
What is the InChIKey of N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is KRPMYLTZGLYJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O3/c1-17(2)21(27)14-20(23(29)18(3)4)24-22(28)16-26-12-8-19(9-13-26)15-25-10-6-5-7-11-25/h17-20H,5-16H2,1-4H3,(H,24,28).
What are the key properties of N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide?
N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 407.60 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,7-dimethyl-3,6-dioxooctan-4-yl)-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 20871755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).