N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide

C13H22N4O — CID 99589276

IUPACN-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(Cc2cnn(C)c2C)C1
InChIInChI=1S/C13H22N4O/c1-10-12(7-14-16(10)3)8-17-6-4-5-13(9-17)15-11(2)18/h7,13H,4-6,8-9H2,1-3H3,(H,15,18)/t13-/m0/s1
InChIKeyONQHMXWGRPZEAQ-ZDUSSCGKSA-N
MW250.35 g/mol
LogP0.83
Rot. Bonds3

About N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide

N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 99589276) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
PubChem CID99589276
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(Cc2cnn(C)c2C)C1
InChIInChI=1S/C13H22N4O/c1-10-12(7-14-16(10)3)8-17-6-4-5-13(9-17)15-11(2)18/h7,13H,4-6,8-9H2,1-3H3,(H,15,18)/t13-/m0/s1
InChIKeyONQHMXWGRPZEAQ-ZDUSSCGKSA-N
XLogP0.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129328085
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide
CID 164629294
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652
2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 110085261
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide
CID 77097348
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide
CID 97259531
1-acetyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1,4-diazepane-6-carboxamide
CID 110098500
(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 95897717
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide
CID 77080451

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide (CID 99589276) is N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(Cc2cnn(C)c2C)C1.
What is the InChIKey of N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide?
The InChIKey is ONQHMXWGRPZEAQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-12(7-14-16(10)3)8-17-6-4-5-13(9-17)15-11(2)18/h7,13H,4-6,8-9H2,1-3H3,(H,15,18)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 99589276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).