N-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide

C14H25N3O3 — CID 119761881

IUPACN-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide
SMILESO=C(NCCC(=O)N1CCCCCC1)C1COCCN1
InChIInChI=1S/C14H25N3O3/c18-13(17-8-3-1-2-4-9-17)5-6-16-14(19)12-11-20-10-7-15-12/h12,15H,1-11H2,(H,16,19)
InChIKeyUJRIVXZXECHFCD-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.12
Rot. Bonds4

About N-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide

N-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide (PubChem CID 119761881) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide
PubChem CID119761881
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide
SMILESO=C(NCCC(=O)N1CCCCCC1)C1COCCN1
InChIInChI=1S/C14H25N3O3/c18-13(17-8-3-1-2-4-9-17)5-6-16-14(19)12-11-20-10-7-15-12/h12,15H,1-11H2,(H,16,19)
InChIKeyUJRIVXZXECHFCD-UHFFFAOYSA-N
XLogP-0.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-2-carboxamide
CID 61249088
N-(3-morpholin-4-yl-3-oxopropyl)piperidine-2-carboxamide
CID 112687692
(2R)-N-(3-morpholin-4-yl-3-oxopropyl)piperidine-2-carboxamide
CID 103808375
(2R,3S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 120923595
(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-2-carboxamide
CID 112701632
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
N-(cyclooctylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119741853
2-(morpholine-3-carbonylamino)ethyl carbamate
CID 83209608
(2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 120621777
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 106740605

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide?
The IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide (CID 119761881) is N-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide?
The canonical SMILES for N-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide is O=C(NCCC(=O)N1CCCCCC1)C1COCCN1.
What is the InChIKey of N-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide?
The InChIKey is UJRIVXZXECHFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-13(17-8-3-1-2-4-9-17)5-6-16-14(19)12-11-20-10-7-15-12/h12,15H,1-11H2,(H,16,19).
What are the key properties of N-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide?
N-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide has a molecular weight of 283.37 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-3-oxopropyl]morpholine-3-carboxamide is sourced from PubChem (CID 119761881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).