4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide

C18H34N4O2 — CID 75470847

IUPAC4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide
SMILESNC(=O)N1CCCN(CC2(CN3CCOCC3)CCCCC2)CC1
InChIInChI=1S/C18H34N4O2/c19-17(23)22-8-4-7-20(9-10-22)15-18(5-2-1-3-6-18)16-21-11-13-24-14-12-21/h1-16H2,(H2,19,23)
InChIKeyLRSXBYHZIGPXAN-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.36
Rot. Bonds4

About 4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide

4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide (PubChem CID 75470847) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide
PubChem CID75470847
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide
SMILESNC(=O)N1CCCN(CC2(CN3CCOCC3)CCCCC2)CC1
InChIInChI=1S/C18H34N4O2/c19-17(23)22-8-4-7-20(9-10-22)15-18(5-2-1-3-6-18)16-21-11-13-24-14-12-21/h1-16H2,(H2,19,23)
InChIKeyLRSXBYHZIGPXAN-UHFFFAOYSA-N
XLogP1.36
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexylmethyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 55912269
4-(cyclohexylmethyl)-N-(3-methyl-2-morpholin-4-ylbutyl)-1,4-diazepane-1-carboxamide
CID 55912276
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-oxazepane-4-carboxamide
CID 121551250

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide (CID 75470847) is 4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide is NC(=O)N1CCCN(CC2(CN3CCOCC3)CCCCC2)CC1.
What is the InChIKey of 4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide?
The InChIKey is LRSXBYHZIGPXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c19-17(23)22-8-4-7-20(9-10-22)15-18(5-2-1-3-6-18)16-21-11-13-24-14-12-21/h1-16H2,(H2,19,23).
What are the key properties of 4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide?
4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 75470847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).