(2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C15H24N4O2 — CID 94809106

IUPAC(2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C15H24N4O2/c1-12(15(20)19-8-10-21-11-9-19)18-6-3-13(4-7-18)14-2-5-16-17-14/h2,5,12-13H,3-4,6-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeySRMAZQSKUZSMSP-LBPRGKRZSA-N
MW292.38 g/mol
LogP0.84
Rot. Bonds3

About (2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

(2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 94809106) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID94809106
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C15H24N4O2/c1-12(15(20)19-8-10-21-11-9-19)18-6-3-13(4-7-18)14-2-5-16-17-14/h2,5,12-13H,3-4,6-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeySRMAZQSKUZSMSP-LBPRGKRZSA-N
XLogP0.84
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10030012, Example 6
CID 78318738
1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 51104533
2-methyl-1-[4-methyl-4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 73440518
1-(2-methoxyethyl)-4-(1H-pyrazol-5-yl)piperidine
CID 51104409
N-(1-cyanocyclohexyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 72153968
2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 126451751
(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide
CID 164635010
2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 72153925
2-amino-3,3,3-trifluoro-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 79805068
4-(1H-pyrazol-3-yl)-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperidine
CID 90650121
2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 95760347
2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 95760348

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 94809106) is (2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is C[C@@H](C(=O)N1CCOCC1)N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is SRMAZQSKUZSMSP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(15(20)19-8-10-21-11-9-19)18-6-3-13(4-7-18)14-2-5-16-17-14/h2,5,12-13H,3-4,6-11H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
(2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 94809106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).