N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide

C20H21ClFN3O3 — CID 24994849

IUPACN-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)c(Cl)cn1
InChIInChI=1S/C20H21ClFN3O3/c1-12(26)24-18-10-16(17(21)11-23-18)20(28)25-8-6-14(7-9-25)19(27)13-2-4-15(22)5-3-13/h2-5,10-11,14,19,27H,6-9H2,1H3,(H,23,24,26)
InChIKeyJXUOTLFCURTMKK-UHFFFAOYSA-N
MW405.86 g/mol
LogP3.42
Rot. Bonds4

About N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide

N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide (PubChem CID 24994849) has the molecular formula C20H21ClFN3O3 and a molecular weight of 405.86 g/mol. Its IUPAC name is N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide
PubChem CID24994849
Molecular FormulaC20H21ClFN3O3
Molecular Weight405.86 g/mol
Exact Mass405.13
IUPAC NameN-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)c(Cl)cn1
InChIInChI=1S/C20H21ClFN3O3/c1-12(26)24-18-10-16(17(21)11-23-18)20(28)25-8-6-14(7-9-25)19(27)13-2-4-15(22)5-3-13/h2-5,10-11,14,19,27H,6-9H2,1H3,(H,23,24,26)
InChIKeyJXUOTLFCURTMKK-UHFFFAOYSA-N
XLogP3.42
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide (CID 24994849) is N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)c(Cl)cn1.
What is the InChIKey of N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide?
The InChIKey is JXUOTLFCURTMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O3/c1-12(26)24-18-10-16(17(21)11-23-18)20(28)25-8-6-14(7-9-25)19(27)13-2-4-15(22)5-3-13/h2-5,10-11,14,19,27H,6-9H2,1H3,(H,23,24,26).
What are the key properties of N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide?
N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide has a molecular weight of 405.86 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 24994849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).