N,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide

C17H30N6O — CID 134076069

IUPACN,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide
SMILESCN1CCN(CC2CN(CC(=O)N(C)C)Cc3nccn3C2)CC1
InChIInChI=1S/C17H30N6O/c1-19(2)17(24)14-22-11-15(10-21-8-6-20(3)7-9-21)12-23-5-4-18-16(23)13-22/h4-5,15H,6-14H2,1-3H3
InChIKeyFYDZPTJYSRBQHR-UHFFFAOYSA-N
MW334.47 g/mol
LogP-0.35
Rot. Bonds4

About N,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide

N,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide (PubChem CID 134076069) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide
PubChem CID134076069
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC NameN,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide
SMILESCN1CCN(CC2CN(CC(=O)N(C)C)Cc3nccn3C2)CC1
InChIInChI=1S/C17H30N6O/c1-19(2)17(24)14-22-11-15(10-21-8-6-20(3)7-9-21)12-23-5-4-18-16(23)13-22/h4-5,15H,6-14H2,1-3H3
InChIKeyFYDZPTJYSRBQHR-UHFFFAOYSA-N
XLogP-0.35
TPSA47.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide (CID 134076069) is N,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide is CN1CCN(CC2CN(CC(=O)N(C)C)Cc3nccn3C2)CC1.
What is the InChIKey of N,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide?
The InChIKey is FYDZPTJYSRBQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-19(2)17(24)14-22-11-15(10-21-8-6-20(3)7-9-21)12-23-5-4-18-16(23)13-22/h4-5,15H,6-14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide?
N,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide has a molecular weight of 334.47 g/mol, XLogP of -0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]acetamide is sourced from PubChem (CID 134076069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).