1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one

C20H34N4O3 — CID 75399608

IUPAC1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
SMILESCC1CN(CCOC2CCN(C(=O)CCCn3cccn3)CC2)CC(C)O1
InChIInChI=1S/C20H34N4O3/c1-17-15-22(16-18(2)27-17)13-14-26-19-6-11-23(12-7-19)20(25)5-3-9-24-10-4-8-21-24/h4,8,10,17-19H,3,5-7,9,11-16H2,1-2H3
InChIKeyHZAQNKBIAUTGOR-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.78
Rot. Bonds8

About 1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one

1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one (PubChem CID 75399608) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
PubChem CID75399608
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
SMILESCC1CN(CCOC2CCN(C(=O)CCCn3cccn3)CC2)CC(C)O1
InChIInChI=1S/C20H34N4O3/c1-17-15-22(16-18(2)27-17)13-14-26-19-6-11-23(12-7-19)20(25)5-3-9-24-10-4-8-21-24/h4,8,10,17-19H,3,5-7,9,11-16H2,1-2H3
InChIKeyHZAQNKBIAUTGOR-UHFFFAOYSA-N
XLogP1.78
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-Dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone
CID 51074299
N-cyclopentyl-3-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide
CID 53564859
N-cyclohexyl-3-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide
CID 53570181
1-(4-Methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71943645
4-({4-[2-(1H-pyrazol-1-yl)butanoyl]-1-piperazinyl}carbonyl)morpholine
CID 72880842
9-(2-Methoxyethyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392238
9-(2-Cyclopropylacetyl)-4-(2-pyrazol-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471445
N-ethyl-1-[2-(4-morpholinyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24819250
2-(2,6-Dimethylmorpholin-4-yl)-3-methyl-1-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-one
CID 53552119
(3S)-3-ethyl-4-[4-(1H-pyrazol-1-yl)butanoyl]morpholine
CID 70756061
1-[4-[(2R)-2-(pyrazol-1-ylmethyl)-1,4-oxazepane-4-carbonyl]piperidin-1-yl]ethanone
CID 99960873
4-{1-[(1-Ethyl-1H-pyrazol-4-YL)methyl]-4-fluoropiperidine-4-carbonyl}morpholine
CID 132443376

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one (CID 75399608) is 1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one is CC1CN(CCOC2CCN(C(=O)CCCn3cccn3)CC2)CC(C)O1.
What is the InChIKey of 1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The InChIKey is HZAQNKBIAUTGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-17-15-22(16-18(2)27-17)13-14-26-19-6-11-23(12-7-19)20(25)5-3-9-24-10-4-8-21-24/h4,8,10,17-19H,3,5-7,9,11-16H2,1-2H3.
What are the key properties of 1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one has a molecular weight of 378.52 g/mol, XLogP of 1.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 75399608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).