4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide

C21H29FN4O — CID 131935588

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide
SMILESCc1cc(C)n(CCCC(=O)NC2CCCN(Cc3ccccc3F)C2)n1
InChIInChI=1S/C21H29FN4O/c1-16-13-17(2)26(24-16)12-6-10-21(27)23-19-8-5-11-25(15-19)14-18-7-3-4-9-20(18)22/h3-4,7,9,13,19H,5-6,8,10-12,14-15H2,1-2H3,(H,23,27)
InChIKeySQSDZYOIDBVWSV-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.20
Rot. Bonds7

About 4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide

4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide (PubChem CID 131935588) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide
PubChem CID131935588
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide
SMILESCc1cc(C)n(CCCC(=O)NC2CCCN(Cc3ccccc3F)C2)n1
InChIInChI=1S/C21H29FN4O/c1-16-13-17(2)26(24-16)12-6-10-21(27)23-19-8-5-11-25(15-19)14-18-7-3-4-9-20(18)22/h3-4,7,9,13,19H,5-6,8,10-12,14-15H2,1-2H3,(H,23,27)
InChIKeySQSDZYOIDBVWSV-UHFFFAOYSA-N
XLogP3.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide
CID 110107173
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42594612
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 25310727
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 131933679
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 45191724
3-(2,4-dioxopyrimidin-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]propanamide
CID 95709652
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
CID 122569970
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
CID 118792938
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 56892586
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 25479419
butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate
CID 56912606

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide (CID 131935588) is 4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide is Cc1cc(C)n(CCCC(=O)NC2CCCN(Cc3ccccc3F)C2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide?
The InChIKey is SQSDZYOIDBVWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O/c1-16-13-17(2)26(24-16)12-6-10-21(27)23-19-8-5-11-25(15-19)14-18-7-3-4-9-20(18)22/h3-4,7,9,13,19H,5-6,8,10-12,14-15H2,1-2H3,(H,23,27).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide has a molecular weight of 372.49 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide is sourced from PubChem (CID 131935588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).