2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

C16H26N4O2 — CID 86773566

IUPAC2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C16H26N4O2/c1-13(16(21)20-7-9-22-10-8-20)19-5-3-14(4-6-19)15-11-17-18(2)12-15/h11-14H,3-10H2,1-2H3
InChIKeyKUVFOIFHQDGSIJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.85
Rot. Bonds3

About 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 86773566) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID86773566
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C16H26N4O2/c1-13(16(21)20-7-9-22-10-8-20)19-5-3-14(4-6-19)15-11-17-18(2)12-15/h11-14H,3-10H2,1-2H3
InChIKeyKUVFOIFHQDGSIJ-UHFFFAOYSA-N
XLogP0.85
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 60638552
1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 86773557
[5-chloro-6-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133300707
(3R,4S)-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935701
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 56801201
N-(2-methyl-2-morpholin-4-ylpropyl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]acetamide
CID 128960508
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide
CID 167756837
2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 63853962
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide
CID 86773522
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
(2R)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 98765633
N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 128635077

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 86773566) is 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)N1CCC(c2cnn(C)c2)CC1.
What is the InChIKey of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is KUVFOIFHQDGSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13(16(21)20-7-9-22-10-8-20)19-5-3-14(4-6-19)15-11-17-18(2)12-15/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 306.41 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 86773566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).