1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one

C17H25N5O2 — CID 95282727

IUPAC1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCCc1noc(CCC(=O)N2CCC[C@H](n3cc(C)cn3)C2)n1
InChIInChI=1S/C17H25N5O2/c1-3-5-15-19-16(24-20-15)7-8-17(23)21-9-4-6-14(12-21)22-11-13(2)10-18-22/h10-11,14H,3-9,12H2,1-2H3/t14-/m0/s1
InChIKeyWIRHOHQHCRSMSQ-AWEZNQCLSA-N
MW331.42 g/mol
LogP2.32
Rot. Bonds6

About 1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 95282727) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID95282727
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCCc1noc(CCC(=O)N2CCC[C@H](n3cc(C)cn3)C2)n1
InChIInChI=1S/C17H25N5O2/c1-3-5-15-19-16(24-20-15)7-8-17(23)21-9-4-6-14(12-21)22-11-13(2)10-18-22/h10-11,14H,3-9,12H2,1-2H3/t14-/m0/s1
InChIKeyWIRHOHQHCRSMSQ-AWEZNQCLSA-N
XLogP2.32
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95314199
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95303199
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95280551
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95289375
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 62355730
2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one
CID 136811461
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 95327283
3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768717
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 62372529
3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 119881484
3-(1H-indol-3-yl)-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95280536

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 95282727) is 1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one is CCCc1noc(CCC(=O)N2CCC[C@H](n3cc(C)cn3)C2)n1.
What is the InChIKey of 1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is WIRHOHQHCRSMSQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-5-15-19-16(24-20-15)7-8-17(23)21-9-4-6-14(12-21)22-11-13(2)10-18-22/h10-11,14H,3-9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 331.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 95282727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).