N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide

C23H28FN5OS — CID 14426405

IUPACN-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCn2cccn2)CC1
InChIInChI=1S/C23H28FN5OS/c1-3-21(30)29(20-8-5-4-7-19(20)24)23(22-26-18(2)17-31-22)9-13-27(14-10-23)15-16-28-12-6-11-25-28/h4-8,11-12,17H,3,9-10,13-16H2,1-2H3
InChIKeyNIYCKYVNVCUYFR-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.22
Rot. Bonds7

About N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide

N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide (PubChem CID 14426405) has the molecular formula C23H28FN5OS and a molecular weight of 441.58 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide
PubChem CID14426405
Molecular FormulaC23H28FN5OS
Molecular Weight441.58 g/mol
Exact Mass441.20
IUPAC NameN-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCn2cccn2)CC1
InChIInChI=1S/C23H28FN5OS/c1-3-21(30)29(20-8-5-4-7-19(20)24)23(22-26-18(2)17-31-22)9-13-27(14-10-23)15-16-28-12-6-11-25-28/h4-8,11-12,17H,3,9-10,13-16H2,1-2H3
InChIKeyNIYCKYVNVCUYFR-UHFFFAOYSA-N
XLogP4.22
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide (CID 14426405) is N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCn2cccn2)CC1.
What is the InChIKey of N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
The InChIKey is NIYCKYVNVCUYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5OS/c1-3-21(30)29(20-8-5-4-7-19(20)24)23(22-26-18(2)17-31-22)9-13-27(14-10-23)15-16-28-12-6-11-25-28/h4-8,11-12,17H,3,9-10,13-16H2,1-2H3.
What are the key properties of N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide?
N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide has a molecular weight of 441.58 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 14426405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).