7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

C17H26N6O3 — CID 155912376

IUPAC7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCNC(=O)c1cn2c(n1)CCN(C(=O)C1CCCN(CC(N)=O)C1)CC2
InChIInChI=1S/C17H26N6O3/c1-19-16(25)13-10-23-8-7-22(6-4-15(23)20-13)17(26)12-3-2-5-21(9-12)11-14(18)24/h10,12H,2-9,11H2,1H3,(H2,18,24)(H,19,25)
InChIKeyDDGLGMHUPYRRET-UHFFFAOYSA-N
MW362.43 g/mol
LogP-1.18
Rot. Bonds4

About 7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide

7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (PubChem CID 155912376) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
PubChem CID155912376
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
SMILESCNC(=O)c1cn2c(n1)CCN(C(=O)C1CCCN(CC(N)=O)C1)CC2
InChIInChI=1S/C17H26N6O3/c1-19-16(25)13-10-23-8-7-22(6-4-15(23)20-13)17(26)12-3-2-5-21(9-12)11-14(18)24/h10,12H,2-9,11H2,1H3,(H2,18,24)(H,19,25)
InChIKeyDDGLGMHUPYRRET-UHFFFAOYSA-N
XLogP-1.18
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The IUPAC name of 7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide (CID 155912376) is 7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The canonical SMILES for 7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is CNC(=O)c1cn2c(n1)CCN(C(=O)C1CCCN(CC(N)=O)C1)CC2.
What is the InChIKey of 7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
The InChIKey is DDGLGMHUPYRRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-19-16(25)13-10-23-8-7-22(6-4-15(23)20-13)17(26)12-3-2-5-21(9-12)11-14(18)24/h10,12H,2-9,11H2,1H3,(H2,18,24)(H,19,25).
What are the key properties of 7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide?
7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 155912376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).