4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide

C21H30N4O2 — CID 55868982

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
SMILESCCc1noc(CCCC(=O)Nc2ccc(CN3CCCCC3C)cc2)n1
InChIInChI=1S/C21H30N4O2/c1-3-19-23-21(27-24-19)9-6-8-20(26)22-18-12-10-17(11-13-18)15-25-14-5-4-7-16(25)2/h10-13,16H,3-9,14-15H2,1-2H3,(H,22,26)
InChIKeyNAFZRBCNQVZMJG-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.97
Rot. Bonds8

About 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide

4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide (PubChem CID 55868982) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
PubChem CID55868982
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
SMILESCCc1noc(CCCC(=O)Nc2ccc(CN3CCCCC3C)cc2)n1
InChIInChI=1S/C21H30N4O2/c1-3-19-23-21(27-24-19)9-6-8-20(26)22-18-12-10-17(11-13-18)15-25-14-5-4-7-16(25)2/h10-13,16H,3-9,14-15H2,1-2H3,(H,22,26)
InChIKeyNAFZRBCNQVZMJG-UHFFFAOYSA-N
XLogP3.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 97452094
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 55838248
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55736251
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55972021
N-[4-(diethylamino)phenyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 52667872
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55869752
N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55736297
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-oxobutanamide
CID 55736187
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
CID 95161267
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 119844949

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide (CID 55868982) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide is CCc1noc(CCCC(=O)Nc2ccc(CN3CCCCC3C)cc2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The InChIKey is NAFZRBCNQVZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-3-19-23-21(27-24-19)9-6-8-20(26)22-18-12-10-17(11-13-18)15-25-14-5-4-7-16(25)2/h10-13,16H,3-9,14-15H2,1-2H3,(H,22,26).
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide has a molecular weight of 370.50 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 55868982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).