N-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide

C22H30FN3O3 — CID 24794305

IUPACN-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C22H30FN3O3/c1-16(27)24-14-18-8-10-25(11-9-18)22(29)19-5-6-21(28)26(15-19)12-7-17-3-2-4-20(23)13-17/h2-4,13,18-19H,5-12,14-15H2,1H3,(H,24,27)
InChIKeyDMAUCBGWQUUQNL-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.98
Rot. Bonds6

About N-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide

N-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide (PubChem CID 24794305) has the molecular formula C22H30FN3O3 and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide
PubChem CID24794305
Molecular FormulaC22H30FN3O3
Molecular Weight403.50 g/mol
Exact Mass403.23
IUPAC NameN-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C22H30FN3O3/c1-16(27)24-14-18-8-10-25(11-9-18)22(29)19-5-6-21(28)26(15-19)12-7-17-3-2-4-20(23)13-17/h2-4,13,18-19H,5-12,14-15H2,1H3,(H,24,27)
InChIKeyDMAUCBGWQUUQNL-UHFFFAOYSA-N
XLogP1.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one
CID 23646443
1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45210433
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
1-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
1-(2-Phenylethyl)-3-piperidinecarboxamide
CID 2845828
(R)-3-amino-1-((R)-2-benzylpiperazin-1-yl)-4-(2-fluorophenyl)butan-1-one
CID 10144962
(R)-3-Amino-1-((R)-2-benzyl-4-methyl-piperazin-1-yl)-4-(2-fluoro-phenyl)-butan-1-one
CID 10304081
4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one
CID 134481078
Piperidine-1,3-dicarboxylic acid 1-cyclohexylamide 3-(phenethyl-amide)
CID 646128
2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 890242
Cambridge id 5260289
CID 2838041
1-(3,4-difluorobenzyl)-N,N-diethyl-3-piperidinecarboxamide
CID 2838224

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide (CID 24794305) is N-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1.
What is the InChIKey of N-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is DMAUCBGWQUUQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O3/c1-16(27)24-14-18-8-10-25(11-9-18)22(29)19-5-6-21(28)26(15-19)12-7-17-3-2-4-20(23)13-17/h2-4,13,18-19H,5-12,14-15H2,1H3,(H,24,27).
What are the key properties of N-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 403.50 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 24794305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).