3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide

C16H27N5O2 — CID 97467065

IUPAC3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
SMILESCC(C)NC(=O)N1CCc2ncc(CN3CCOCC3)n2CC1
InChIInChI=1S/C16H27N5O2/c1-13(2)18-16(22)20-4-3-15-17-11-14(21(15)6-5-20)12-19-7-9-23-10-8-19/h11,13H,3-10,12H2,1-2H3,(H,18,22)
InChIKeyUUNJQKZKYTYOQY-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.69
Rot. Bonds3

About 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide

3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide (PubChem CID 97467065) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
PubChem CID97467065
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
SMILESCC(C)NC(=O)N1CCc2ncc(CN3CCOCC3)n2CC1
InChIInChI=1S/C16H27N5O2/c1-13(2)18-16(22)20-4-3-15-17-11-14(21(15)6-5-20)12-19-7-9-23-10-8-19/h11,13H,3-10,12H2,1-2H3,(H,18,22)
InChIKeyUUNJQKZKYTYOQY-UHFFFAOYSA-N
XLogP0.69
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide?
The IUPAC name of 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide (CID 97467065) is 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide is CC(C)NC(=O)N1CCc2ncc(CN3CCOCC3)n2CC1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide?
The InChIKey is UUNJQKZKYTYOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-13(2)18-16(22)20-4-3-15-17-11-14(21(15)6-5-20)12-19-7-9-23-10-8-19/h11,13H,3-10,12H2,1-2H3,(H,18,22).
What are the key properties of 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide?
3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 97467065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).