N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide

C13H25N3O2 — CID 79082476

IUPACN-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide
SMILESCN1CCOC(CNC(=O)C2CCCCCN2)C1
InChIInChI=1S/C13H25N3O2/c1-16-7-8-18-11(10-16)9-15-13(17)12-5-3-2-4-6-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyDRMIVZOUEYEJMG-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.03
Rot. Bonds3

About N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide

N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide (PubChem CID 79082476) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide
PubChem CID79082476
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide
SMILESCN1CCOC(CNC(=O)C2CCCCCN2)C1
InChIInChI=1S/C13H25N3O2/c1-16-7-8-18-11(10-16)9-15-13(17)12-5-3-2-4-6-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyDRMIVZOUEYEJMG-UHFFFAOYSA-N
XLogP-0.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]azepane-2-carboxamide
CID 114399899
N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 79081953
N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 18072457
N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908915
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
(2R)-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-2-carboxamide
CID 119829812
2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361141
N-(oxan-4-ylmethyl)azocane-2-carboxamide
CID 114240145
4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79081947
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide (CID 79082476) is N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide is CN1CCOC(CNC(=O)C2CCCCCN2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide?
The InChIKey is DRMIVZOUEYEJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-16-7-8-18-11(10-16)9-15-13(17)12-5-3-2-4-6-14-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide?
N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide is sourced from PubChem (CID 79082476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).