N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

C21H29FN4O2 — CID 42147503

IUPACN-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCOc1cc(CN2CCC(n3nccc3NC(=O)CC(C)C)CC2)ccc1F
InChIInChI=1S/C21H29FN4O2/c1-15(2)12-21(27)24-20-6-9-23-26(20)17-7-10-25(11-8-17)14-16-4-5-18(22)19(13-16)28-3/h4-6,9,13,15,17H,7-8,10-12,14H2,1-3H3,(H,24,27)
InChIKeyJLZPPSGJNFZCEC-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.85
Rot. Bonds7

About N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (PubChem CID 42147503) has the molecular formula C21H29FN4O2 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
PubChem CID42147503
Molecular FormulaC21H29FN4O2
Molecular Weight388.49 g/mol
Exact Mass388.23
IUPAC NameN-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCOc1cc(CN2CCC(n3nccc3NC(=O)CC(C)C)CC2)ccc1F
InChIInChI=1S/C21H29FN4O2/c1-15(2)12-21(27)24-20-6-9-23-26(20)17-7-10-25(11-8-17)14-16-4-5-18(22)19(13-16)28-3/h4-6,9,13,15,17H,7-8,10-12,14H2,1-3H3,(H,24,27)
InChIKeyJLZPPSGJNFZCEC-UHFFFAOYSA-N
XLogP3.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (CID 42147503) is N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is COc1cc(CN2CCC(n3nccc3NC(=O)CC(C)C)CC2)ccc1F.
What is the InChIKey of N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The InChIKey is JLZPPSGJNFZCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O2/c1-15(2)12-21(27)24-20-6-9-23-26(20)17-7-10-25(11-8-17)14-16-4-5-18(22)19(13-16)28-3/h4-6,9,13,15,17H,7-8,10-12,14H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 388.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 42147503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).