N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide

C19H29FN2O2 — CID 71925965

IUPACN-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCCC(CO)C1
InChIInChI=1S/C19H29FN2O2/c1-19(2,3)22(12-15-6-4-8-17(20)10-15)18(24)13-21-9-5-7-16(11-21)14-23/h4,6,8,10,16,23H,5,7,9,11-14H2,1-3H3
InChIKeyFXWVDCTWTHLTOV-UHFFFAOYSA-N
MW336.45 g/mol
LogP2.66
Rot. Bonds5

About N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide

N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 71925965) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID71925965
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC NameN-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESCC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCCC(CO)C1
InChIInChI=1S/C19H29FN2O2/c1-19(2,3)22(12-15-6-4-8-17(20)10-15)18(24)13-21-9-5-7-16(11-21)14-23/h4,6,8,10,16,23H,5,7,9,11-14H2,1-3H3
InChIKeyFXWVDCTWTHLTOV-UHFFFAOYSA-N
XLogP2.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide (CID 71925965) is N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide is CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCCC(CO)C1.
What is the InChIKey of N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is FXWVDCTWTHLTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-19(2,3)22(12-15-6-4-8-17(20)10-15)18(24)13-21-9-5-7-16(11-21)14-23/h4,6,8,10,16,23H,5,7,9,11-14H2,1-3H3.
What are the key properties of N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 336.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 71925965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).