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

C26H49N5O3 — CID 20871712

IUPAC2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide
SMILESCC(C)C(=O)CC(NC(=O)CN1CCC(N2CCN(CCCN(C)C)CC2)CC1)C(=O)C(C)C
InChIInChI=1S/C26H49N5O3/c1-20(2)24(32)18-23(26(34)21(3)4)27-25(33)19-30-12-8-22(9-13-30)31-16-14-29(15-17-31)11-7-10-28(5)6/h20-23H,7-19H2,1-6H3,(H,27,33)
InChIKeyLAGPELOZMIFYRI-UHFFFAOYSA-N
MW479.71 g/mol
LogP1.35
Rot. Bonds13

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

2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide (PubChem CID 20871712) has the molecular formula C26H49N5O3 and a molecular weight of 479.71 g/mol. Its IUPAC name is 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide
PubChem CID20871712
Molecular FormulaC26H49N5O3
Molecular Weight479.71 g/mol
Exact Mass479.38
IUPAC Name2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide
SMILESCC(C)C(=O)CC(NC(=O)CN1CCC(N2CCN(CCCN(C)C)CC2)CC1)C(=O)C(C)C
InChIInChI=1S/C26H49N5O3/c1-20(2)24(32)18-23(26(34)21(3)4)27-25(33)19-30-12-8-22(9-13-30)31-16-14-29(15-17-31)11-7-10-28(5)6/h20-23H,7-19H2,1-6H3,(H,27,33)
InChIKeyLAGPELOZMIFYRI-UHFFFAOYSA-N
XLogP1.35
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.71
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide?
The IUPAC name of 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide (CID 20871712) is 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide.
What is the SMILES notation for 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide?
The canonical SMILES for 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide is CC(C)C(=O)CC(NC(=O)CN1CCC(N2CCN(CCCN(C)C)CC2)CC1)C(=O)C(C)C.
What is the InChIKey of 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide?
The InChIKey is LAGPELOZMIFYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N5O3/c1-20(2)24(32)18-23(26(34)21(3)4)27-25(33)19-30-12-8-22(9-13-30)31-16-14-29(15-17-31)11-7-10-28(5)6/h20-23H,7-19H2,1-6H3,(H,27,33).
What are the key properties of 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide?
2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide has a molecular weight of 479.71 g/mol, XLogP of 1.35, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]piperidin-1-yl]-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide is sourced from PubChem (CID 20871712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).