(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide

C14H27N3O2 — CID 125446683

IUPAC(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)[C@@H]1CCCNCC1
InChIInChI=1S/C14H27N3O2/c18-14(13-3-1-5-15-7-4-13)16-6-2-8-17-9-11-19-12-10-17/h13,15H,1-12H2,(H,16,18)/t13-/m1/s1
InChIKeyLYOWWSMPUXFVTP-CYBMUJFWSA-N
MW269.39 g/mol
LogP0.21
Rot. Bonds5

About (4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide

(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide (PubChem CID 125446683) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
PubChem CID125446683
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)[C@@H]1CCCNCC1
InChIInChI=1S/C14H27N3O2/c18-14(13-3-1-5-15-7-4-13)16-6-2-8-17-9-11-19-12-10-17/h13,15H,1-12H2,(H,16,18)/t13-/m1/s1
InChIKeyLYOWWSMPUXFVTP-CYBMUJFWSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-morpholin-4-ylpropyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108518524
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
N-(3-piperazin-1-ylpropyl)oxane-3-carboxamide
CID 62760131
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639
4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 60846570
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281
(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547
N-(3-morpholin-4-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119827240
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901823

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide?
The IUPAC name of (4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide (CID 125446683) is (4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide.
What is the SMILES notation for (4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide?
The canonical SMILES for (4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide is O=C(NCCCN1CCOCC1)[C@@H]1CCCNCC1.
What is the InChIKey of (4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide?
The InChIKey is LYOWWSMPUXFVTP-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27N3O2/c18-14(13-3-1-5-15-7-4-13)16-6-2-8-17-9-11-19-12-10-17/h13,15H,1-12H2,(H,16,18)/t13-/m1/s1.
What are the key properties of (4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide?
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide is sourced from PubChem (CID 125446683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).