N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide

C20H25ClN4O3 — CID 45197857

IUPACN-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCC1CCCN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C20H25ClN4O3/c1-24-17(9-10-22-24)20(27)25-11-3-4-14(13-25)5-8-19(26)23-16-12-15(21)6-7-18(16)28-2/h6-7,9-10,12,14H,3-5,8,11,13H2,1-2H3,(H,23,26)
InChIKeyFUJGLURJZWAKEQ-UHFFFAOYSA-N
MW404.90 g/mol
LogP3.35
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide (PubChem CID 45197857) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
PubChem CID45197857
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCC1CCCN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C20H25ClN4O3/c1-24-17(9-10-22-24)20(27)25-11-3-4-14(13-25)5-8-19(26)23-16-12-15(21)6-7-18(16)28-2/h6-7,9-10,12,14H,3-5,8,11,13H2,1-2H3,(H,23,26)
InChIKeyFUJGLURJZWAKEQ-UHFFFAOYSA-N
XLogP3.35
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 53.35
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-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide (CID 45197857) is N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide is COc1ccc(Cl)cc1NC(=O)CCC1CCCN(C(=O)c2ccnn2C)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is FUJGLURJZWAKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3/c1-24-17(9-10-22-24)20(27)25-11-3-4-14(13-25)5-8-19(26)23-16-12-15(21)6-7-18(16)28-2/h6-7,9-10,12,14H,3-5,8,11,13H2,1-2H3,(H,23,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 404.90 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45197857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).