(2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide

C18H24N4O2 — CID 100743768

IUPAC(2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide
SMILESCc1cc(N2CCC(NC(=O)[C@H](C)Oc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-13-12-17(21-20-13)22-10-8-15(9-11-22)19-18(23)14(2)24-16-6-4-3-5-7-16/h3-7,12,14-15H,8-11H2,1-2H3,(H,19,23)(H,20,21)/t14-/m0/s1
InChIKeyNYZIUOOFUFDMDK-AWEZNQCLSA-N
MW328.42 g/mol
LogP2.27
Rot. Bonds5

About (2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide

(2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide (PubChem CID 100743768) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide
PubChem CID100743768
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide
SMILESCc1cc(N2CCC(NC(=O)[C@H](C)Oc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-13-12-17(21-20-13)22-10-8-15(9-11-22)19-18(23)14(2)24-16-6-4-3-5-7-16/h3-7,12,14-15H,8-11H2,1-2H3,(H,19,23)(H,20,21)/t14-/m0/s1
InChIKeyNYZIUOOFUFDMDK-AWEZNQCLSA-N
XLogP2.27
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide
CID 100743783
(2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide
CID 99754105
2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide
CID 91904764
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-phenylcyclopropane-1-carboxamide
CID 91631973
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
1-[1H-imidazol-2-yl(phenyl)methyl]-1-methyl-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea
CID 154797825
3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 91631956
methyl 2-[[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]sulfamoylmethyl]benzoate
CID 91651763
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-4-morpholin-4-ylbenzamide
CID 91631942
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 91631941

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide (CID 100743768) is (2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide is Cc1cc(N2CCC(NC(=O)[C@H](C)Oc3ccccc3)CC2)n[nH]1.
What is the InChIKey of (2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide?
The InChIKey is NYZIUOOFUFDMDK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-12-17(21-20-13)22-10-8-15(9-11-22)19-18(23)14(2)24-16-6-4-3-5-7-16/h3-7,12,14-15H,8-11H2,1-2H3,(H,19,23)(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide?
(2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide has a molecular weight of 328.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide is sourced from PubChem (CID 100743768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).