N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide

C21H28FN3O3 — CID 124728676

IUPACN-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C21H28FN3O3/c1-15(26)23-12-17-8-10-25(13-17)21(28)18-3-2-9-24(14-18)20(27)11-16-4-6-19(22)7-5-16/h4-7,17-18H,2-3,8-14H2,1H3,(H,23,26)/t17-,18+/m1/s1
InChIKeyFCYKSPYPYUXKPF-MSOLQXFVSA-N
MW389.47 g/mol
LogP1.59
Rot. Bonds5

About N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide

N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 124728676) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID124728676
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC NameN-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C21H28FN3O3/c1-15(26)23-12-17-8-10-25(13-17)21(28)18-3-2-9-24(14-18)20(27)11-16-4-6-19(22)7-5-16/h4-7,17-18H,2-3,8-14H2,1H3,(H,23,26)/t17-,18+/m1/s1
InChIKeyFCYKSPYPYUXKPF-MSOLQXFVSA-N
XLogP1.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110893860
1-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55739986
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]piperidin-4-one
CID 127769925
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809799
1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119487183
1-[2-(4-fluorophenyl)acetyl]-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110001085
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55749531
2-(4-fluorophenyl)-1-[(3S)-3-(oxazinane-2-carbonyl)piperidin-1-yl]ethanone
CID 124726986

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide (CID 124728676) is N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide is CC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1.
What is the InChIKey of N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is FCYKSPYPYUXKPF-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H28FN3O3/c1-15(26)23-12-17-8-10-25(13-17)21(28)18-3-2-9-24(14-18)20(27)11-16-4-6-19(22)7-5-16/h4-7,17-18H,2-3,8-14H2,1H3,(H,23,26)/t17-,18+/m1/s1.
What are the key properties of N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide?
N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 389.47 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 124728676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).