(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one

C20H34N6O2 — CID 75411796

IUPAC(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one
SMILESCN1CCN(C(=O)[C@@H]2CCC[C@@H](NCc3nccn3C)CN(C)C(=O)C2)CC1
InChIInChI=1S/C20H34N6O2/c1-23-9-11-26(12-10-23)20(28)16-5-4-6-17(15-25(3)19(27)13-16)22-14-18-21-7-8-24(18)2/h7-8,16-17,22H,4-6,9-15H2,1-3H3/t16-,17-/m1/s1
InChIKeyHEBCQJIUHNXGRX-IAGOWNOFSA-N
MW390.53 g/mol
LogP0.30
Rot. Bonds4

About (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one

(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one (PubChem CID 75411796) has the molecular formula C20H34N6O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one.

Molecular Properties

Compound Name(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one
PubChem CID75411796
Molecular FormulaC20H34N6O2
Molecular Weight390.53 g/mol
Exact Mass390.27
IUPAC Name(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one
SMILESCN1CCN(C(=O)[C@@H]2CCC[C@@H](NCc3nccn3C)CN(C)C(=O)C2)CC1
InChIInChI=1S/C20H34N6O2/c1-23-9-11-26(12-10-23)20(28)16-5-4-6-17(15-25(3)19(27)13-16)22-14-18-21-7-8-24(18)2/h7-8,16-17,22H,4-6,9-15H2,1-3H3/t16-,17-/m1/s1
InChIKeyHEBCQJIUHNXGRX-IAGOWNOFSA-N
XLogP0.30
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one?
The IUPAC name of (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one (CID 75411796) is (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one.
What is the SMILES notation for (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one?
The canonical SMILES for (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one is CN1CCN(C(=O)[C@@H]2CCC[C@@H](NCc3nccn3C)CN(C)C(=O)C2)CC1.
What is the InChIKey of (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one?
The InChIKey is HEBCQJIUHNXGRX-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H34N6O2/c1-23-9-11-26(12-10-23)20(28)16-5-4-6-17(15-25(3)19(27)13-16)22-14-18-21-7-8-24(18)2/h7-8,16-17,22H,4-6,9-15H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one?
(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one has a molecular weight of 390.53 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one is sourced from PubChem (CID 75411796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).