2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide

C17H23N3O3 — CID 163173223

IUPAC2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide
SMILESC#CCN(C)C(=O)CC1CCNCC1Cc1cc(C(C)=O)on1
InChIInChI=1S/C17H23N3O3/c1-4-7-20(3)17(22)9-13-5-6-18-11-14(13)8-15-10-16(12(2)21)23-19-15/h1,10,13-14,18H,5-9,11H2,2-3H3
InChIKeyWFPQBYVXMPBGAK-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.13
Rot. Bonds6

About 2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide

2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide (PubChem CID 163173223) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide
PubChem CID163173223
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide
SMILESC#CCN(C)C(=O)CC1CCNCC1Cc1cc(C(C)=O)on1
InChIInChI=1S/C17H23N3O3/c1-4-7-20(3)17(22)9-13-5-6-18-11-14(13)8-15-10-16(12(2)21)23-19-15/h1,10,13-14,18H,5-9,11H2,2-3H3
InChIKeyWFPQBYVXMPBGAK-UHFFFAOYSA-N
XLogP1.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide
CID 40777343
N-methyl-2-[(3R,4S)-3-[[5-[(N-methylanilino)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide
CID 25314002
N-methyl-2-[(3R,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide
CID 26743346
2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide
CID 28960225
methyl 3-[[(3R,4R)-4-[2-(diethylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate
CID 163046715
N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 162916581
N-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide
CID 26742955
N-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 26743088
3-[[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid
CID 74505751
N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 40777368
methyl 3-[[(3R,4S)-4-[2-(cyclohexylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate
CID 26743060
2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 162973087

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide?
The IUPAC name of 2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide (CID 163173223) is 2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide is C#CCN(C)C(=O)CC1CCNCC1Cc1cc(C(C)=O)on1.
What is the InChIKey of 2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide?
The InChIKey is WFPQBYVXMPBGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-7-20(3)17(22)9-13-5-6-18-11-14(13)8-15-10-16(12(2)21)23-19-15/h1,10,13-14,18H,5-9,11H2,2-3H3.
What are the key properties of 2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide?
2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide has a molecular weight of 317.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-acetyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 163173223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).