2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone

C18H36N6O2 — CID 123181399

IUPAC2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
SMILESCN(C)C1CCN(C(=O)CN(N)CC(=O)N2CCC(N(C)C)CC2)CC1
InChIInChI=1S/C18H36N6O2/c1-20(2)15-5-9-22(10-6-15)17(25)13-24(19)14-18(26)23-11-7-16(8-12-23)21(3)4/h15-16H,5-14,19H2,1-4H3
InChIKeyGHOLFYHJUNSDDI-UHFFFAOYSA-N
MW368.53 g/mol
LogP-0.73
Rot. Bonds6

About 2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone

2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone (PubChem CID 123181399) has the molecular formula C18H36N6O2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
PubChem CID123181399
Molecular FormulaC18H36N6O2
Molecular Weight368.53 g/mol
Exact Mass368.29
IUPAC Name2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
SMILESCN(C)C1CCN(C(=O)CN(N)CC(=O)N2CCC(N(C)C)CC2)CC1
InChIInChI=1S/C18H36N6O2/c1-20(2)15-5-9-22(10-6-15)17(25)13-24(19)14-18(26)23-11-7-16(8-12-23)21(3)4/h15-16H,5-14,19H2,1-4H3
InChIKeyGHOLFYHJUNSDDI-UHFFFAOYSA-N
XLogP-0.73
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone (CID 123181399) is 2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone is CN(C)C1CCN(C(=O)CN(N)CC(=O)N2CCC(N(C)C)CC2)CC1.
What is the InChIKey of 2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone?
The InChIKey is GHOLFYHJUNSDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6O2/c1-20(2)15-5-9-22(10-6-15)17(25)13-24(19)14-18(26)23-11-7-16(8-12-23)21(3)4/h15-16H,5-14,19H2,1-4H3.
What are the key properties of 2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone?
2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone has a molecular weight of 368.53 g/mol, XLogP of -0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]amino]-1-[4-(dimethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 123181399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).