3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide

C18H30N4O2 — CID 126782517

IUPAC3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide
SMILESCC(C)CC(=O)NC(C(=O)N1CCC(c2ccn[nH]2)CC1)C(C)C
InChIInChI=1S/C18H30N4O2/c1-12(2)11-16(23)20-17(13(3)4)18(24)22-9-6-14(7-10-22)15-5-8-19-21-15/h5,8,12-14,17H,6-7,9-11H2,1-4H3,(H,19,21)(H,20,23)
InChIKeyOJVMVCGKIZQDOD-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.30
Rot. Bonds6

About 3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide

3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide (PubChem CID 126782517) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide
PubChem CID126782517
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide
SMILESCC(C)CC(=O)NC(C(=O)N1CCC(c2ccn[nH]2)CC1)C(C)C
InChIInChI=1S/C18H30N4O2/c1-12(2)11-16(23)20-17(13(3)4)18(24)22-9-6-14(7-10-22)15-5-8-19-21-15/h5,8,12-14,17H,6-7,9-11H2,1-4H3,(H,19,21)(H,20,23)
InChIKeyOJVMVCGKIZQDOD-UHFFFAOYSA-N
XLogP2.30
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide with MolForge

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Related Compounds

N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 90647724
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 119648156
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 118791937
N-[(2R,3R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-methylbutanamide
CID 71457362
2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 119874083
N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 75442625
N-[(2R)-1-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 99795481
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 51104392
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4,4,4-trifluoro-3-methylbutanamide;methane
CID 159768798
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541
2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 95845969
(5R)-5-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-3-propylimidazolidine-2,4-dione
CID 124749245

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide?
The IUPAC name of 3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide (CID 126782517) is 3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide?
The canonical SMILES for 3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide is CC(C)CC(=O)NC(C(=O)N1CCC(c2ccn[nH]2)CC1)C(C)C.
What is the InChIKey of 3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide?
The InChIKey is OJVMVCGKIZQDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-12(2)11-16(23)20-17(13(3)4)18(24)22-9-6-14(7-10-22)15-5-8-19-21-15/h5,8,12-14,17H,6-7,9-11H2,1-4H3,(H,19,21)(H,20,23).
What are the key properties of 3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide?
3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide has a molecular weight of 334.46 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-methyl-1-oxo-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]butan-2-yl]butanamide is sourced from PubChem (CID 126782517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).