1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one

C18H31N3O3 — CID 95621430

IUPAC1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
SMILESO=C1CCCCCN1CC(=O)N1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C18H31N3O3/c22-17-7-2-1-4-8-20(17)15-18(23)21-9-5-3-6-16(21)14-19-10-12-24-13-11-19/h16H,1-15H2/t16-/m1/s1
InChIKeyQCHQXZOEJIUSCV-MRXNPFEDSA-N
MW337.46 g/mol
LogP1.10
Rot. Bonds4

About 1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one

1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one (PubChem CID 95621430) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
PubChem CID95621430
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
SMILESO=C1CCCCCN1CC(=O)N1CCCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C18H31N3O3/c22-17-7-2-1-4-8-20(17)15-18(23)21-9-5-3-6-16(21)14-19-10-12-24-13-11-19/h16H,1-15H2/t16-/m1/s1
InChIKeyQCHQXZOEJIUSCV-MRXNPFEDSA-N
XLogP1.10
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119632444
2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61370469
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 39954212
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
1-[2-[2-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63249417
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one;hydrochloride
CID 119651125
4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid
CID 119216347
N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376
1-(2-morpholin-4-ylacetyl)piperidin-2-one
CID 122506860
1-[2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95766670
(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371463
2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 97143198

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one?
The IUPAC name of 1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one (CID 95621430) is 1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one.
What is the SMILES notation for 1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one?
The canonical SMILES for 1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one is O=C1CCCCCN1CC(=O)N1CCCC[C@@H]1CN1CCOCC1.
What is the InChIKey of 1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one?
The InChIKey is QCHQXZOEJIUSCV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31N3O3/c22-17-7-2-1-4-8-20(17)15-18(23)21-9-5-3-6-16(21)14-19-10-12-24-13-11-19/h16H,1-15H2/t16-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one?
1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one has a molecular weight of 337.46 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one is sourced from PubChem (CID 95621430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).