2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide

C15H29N3O2 — CID 110196378

IUPAC2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide
SMILESCCCNC(=O)N1CCCCCC1CN1CCOCC1
InChIInChI=1S/C15H29N3O2/c1-2-7-16-15(19)18-8-5-3-4-6-14(18)13-17-9-11-20-12-10-17/h14H,2-13H2,1H3,(H,16,19)
InChIKeyBEQZLKLYTMXNAK-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.68
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide

2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide (PubChem CID 110196378) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide
PubChem CID110196378
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide
SMILESCCCNC(=O)N1CCCCCC1CN1CCOCC1
InChIInChI=1S/C15H29N3O2/c1-2-7-16-15(19)18-8-5-3-4-6-14(18)13-17-9-11-20-12-10-17/h14H,2-13H2,1H3,(H,16,19)
InChIKeyBEQZLKLYTMXNAK-UHFFFAOYSA-N
XLogP1.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide?
The IUPAC name of 2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide (CID 110196378) is 2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide is CCCNC(=O)N1CCCCCC1CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide?
The InChIKey is BEQZLKLYTMXNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-2-7-16-15(19)18-8-5-3-4-6-14(18)13-17-9-11-20-12-10-17/h14H,2-13H2,1H3,(H,16,19).
What are the key properties of 2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide?
2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-N-propylazepane-1-carboxamide is sourced from PubChem (CID 110196378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).