N-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide

C22H27FN2O4 — CID 24791541

IUPACN-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide
SMILESCOCc1ccc(C(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C22H27FN2O4/c1-28-15-19-7-8-20(29-19)22(27)25-12-10-16(11-13-25)4-9-21(26)24-14-17-2-5-18(23)6-3-17/h2-3,5-8,16H,4,9-15H2,1H3,(H,24,26)
InChIKeyBYEPWKQDLKHLCP-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.51
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide (PubChem CID 24791541) has the molecular formula C22H27FN2O4 and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide
PubChem CID24791541
Molecular FormulaC22H27FN2O4
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide
SMILESCOCc1ccc(C(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C22H27FN2O4/c1-28-15-19-7-8-20(29-19)22(27)25-12-10-16(11-13-25)4-9-21(26)24-14-17-2-5-18(23)6-3-17/h2-3,5-8,16H,4,9-15H2,1H3,(H,24,26)
InChIKeyBYEPWKQDLKHLCP-UHFFFAOYSA-N
XLogP3.51
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide (CID 24791541) is N-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide is COCc1ccc(C(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide?
The InChIKey is BYEPWKQDLKHLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4/c1-28-15-19-7-8-20(29-19)22(27)25-12-10-16(11-13-25)4-9-21(26)24-14-17-2-5-18(23)6-3-17/h2-3,5-8,16H,4,9-15H2,1H3,(H,24,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide has a molecular weight of 402.47 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 24791541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).