3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one

C16H27N5O2 — CID 120982966

IUPAC3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
SMILESCn1cc(C2(C)CN(CCC(=O)N3CCNCC3)CCO2)cn1
InChIInChI=1S/C16H27N5O2/c1-16(14-11-18-19(2)12-14)13-20(9-10-23-16)6-3-15(22)21-7-4-17-5-8-21/h11-12,17H,3-10,13H2,1-2H3
InChIKeyKXYHNNRWSDSFSQ-UHFFFAOYSA-N
MW321.43 g/mol
LogP-0.21
Rot. Bonds4

About 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one

3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982966) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120982966
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
SMILESCn1cc(C2(C)CN(CCC(=O)N3CCNCC3)CCO2)cn1
InChIInChI=1S/C16H27N5O2/c1-16(14-11-18-19(2)12-14)13-20(9-10-23-16)6-3-15(22)21-7-4-17-5-8-21/h11-12,17H,3-10,13H2,1-2H3
InChIKeyKXYHNNRWSDSFSQ-UHFFFAOYSA-N
XLogP-0.21
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982806
(2R)-2-methyl-2-(1-methylpyrazol-4-yl)-4-[(5-methylthiophen-2-yl)methyl]morpholine
CID 97151832
[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120942831
3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid
CID 124692793
(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
CID 97074651
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97090713
(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine
CID 97226347
1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63608644
(2S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 97151843
3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]benzoic acid
CID 120552183
(2R)-N-[(2R)-2-(diethylamino)propyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 97099387
3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 120981754

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one (CID 120982966) is 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one is Cn1cc(C2(C)CN(CCC(=O)N3CCNCC3)CCO2)cn1.
What is the InChIKey of 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is KXYHNNRWSDSFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-16(14-11-18-19(2)12-14)13-20(9-10-23-16)6-3-15(22)21-7-4-17-5-8-21/h11-12,17H,3-10,13H2,1-2H3.
What are the key properties of 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one?
3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 321.43 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).