N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide

C18H30N6O3 — CID 56905989

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide
SMILESCc1cnc(CN(C)C(=O)CC2COCCN2C(=O)N2CCN(C)CC2)[nH]1
InChIInChI=1S/C18H30N6O3/c1-14-11-19-16(20-14)12-22(3)17(25)10-15-13-27-9-8-24(15)18(26)23-6-4-21(2)5-7-23/h11,15H,4-10,12-13H2,1-3H3,(H,19,20)
InChIKeyGLINXJZYHPOZQB-UHFFFAOYSA-N
MW378.48 g/mol
LogP0.13
Rot. Bonds4

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide (PubChem CID 56905989) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide
PubChem CID56905989
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide
SMILESCc1cnc(CN(C)C(=O)CC2COCCN2C(=O)N2CCN(C)CC2)[nH]1
InChIInChI=1S/C18H30N6O3/c1-14-11-19-16(20-14)12-22(3)17(25)10-15-13-27-9-8-24(15)18(26)23-6-4-21(2)5-7-23/h11,15H,4-10,12-13H2,1-3H3,(H,19,20)
InChIKeyGLINXJZYHPOZQB-UHFFFAOYSA-N
XLogP0.13
TPSA85.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide (CID 56905989) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide is Cc1cnc(CN(C)C(=O)CC2COCCN2C(=O)N2CCN(C)CC2)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide?
The InChIKey is GLINXJZYHPOZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-14-11-19-16(20-14)12-22(3)17(25)10-15-13-27-9-8-24(15)18(26)23-6-4-21(2)5-7-23/h11,15H,4-10,12-13H2,1-3H3,(H,19,20).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[4-(4-methylpiperazine-1-carbonyl)morpholin-3-yl]acetamide is sourced from PubChem (CID 56905989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).