N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide

C16H25N5O3 — CID 131660492

IUPACN-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(CN2CCOCC2)C1
InChIInChI=1S/C16H25N5O3/c1-13(22)18-8-16(23)21-11-14(9-19-4-6-24-7-5-19)10-20-3-2-17-15(20)12-21/h2-3,14H,4-12H2,1H3,(H,18,22)
InChIKeyBGQGTPNYTJRMLK-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.69
Rot. Bonds4

About N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide

N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide (PubChem CID 131660492) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
PubChem CID131660492
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(CN2CCOCC2)C1
InChIInChI=1S/C16H25N5O3/c1-13(22)18-8-16(23)21-11-14(9-19-4-6-24-7-5-19)10-20-3-2-17-15(20)12-21/h2-3,14H,4-12H2,1H3,(H,18,22)
InChIKeyBGQGTPNYTJRMLK-UHFFFAOYSA-N
XLogP-0.69
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide (CID 131660492) is N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1Cc2nccn2CC(CN2CCOCC2)C1.
What is the InChIKey of N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
The InChIKey is BGQGTPNYTJRMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-13(22)18-8-16(23)21-11-14(9-19-4-6-24-7-5-19)10-20-3-2-17-15(20)12-21/h2-3,14H,4-12H2,1H3,(H,18,22).
What are the key properties of N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide?
N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide has a molecular weight of 335.41 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(morpholin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 131660492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).