(3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide

C23H34FN3O2 — CID 95778086

IUPAC(3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide
SMILESCN(CC[C@@H]1CCCCN1C)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H34FN3O2/c1-25-13-4-3-7-21(25)12-15-26(2)23(29)19-6-5-14-27(17-19)22(28)16-18-8-10-20(24)11-9-18/h8-11,19,21H,3-7,12-17H2,1-2H3/t19-,21+/m1/s1
InChIKeyTUPMVPLMHFKAQP-CTNGQTDRSA-N
MW403.54 g/mol
LogP2.94
Rot. Bonds6

About (3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide

(3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide (PubChem CID 95778086) has the molecular formula C23H34FN3O2 and a molecular weight of 403.54 g/mol. Its IUPAC name is (3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide
PubChem CID95778086
Molecular FormulaC23H34FN3O2
Molecular Weight403.54 g/mol
Exact Mass403.26
IUPAC Name(3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide
SMILESCN(CC[C@@H]1CCCCN1C)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H34FN3O2/c1-25-13-4-3-7-21(25)12-15-26(2)23(29)19-6-5-14-27(17-19)22(28)16-18-8-10-20(24)11-9-18/h8-11,19,21H,3-7,12-17H2,1-2H3/t19-,21+/m1/s1
InChIKeyTUPMVPLMHFKAQP-CTNGQTDRSA-N
XLogP2.94
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide
CID 95778085
N-cycloheptyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-3-carboxamide
CID 55758241
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
N-cycloheptyl-N-methyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607775
1-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55739986
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
(3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
CID 52539875
2-(4-fluorophenyl)-1-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110893860
(3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 51939813
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide (CID 95778086) is (3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide is CN(CC[C@@H]1CCCCN1C)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide?
The InChIKey is TUPMVPLMHFKAQP-CTNGQTDRSA-N. The full InChI is InChI=1S/C23H34FN3O2/c1-25-13-4-3-7-21(25)12-15-26(2)23(29)19-6-5-14-27(17-19)22(28)16-18-8-10-20(24)11-9-18/h8-11,19,21H,3-7,12-17H2,1-2H3/t19-,21+/m1/s1.
What are the key properties of (3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide?
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide has a molecular weight of 403.54 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95778086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).