N-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide

C21H29FN4O3 — CID 51962414

IUPACN-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide
SMILESCCC(=O)N1CCCC[C@H]1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H29FN4O3/c1-2-20(28)26-10-4-3-5-18(26)21(29)25-13-11-24(12-14-25)15-19(27)23-17-8-6-16(22)7-9-17/h6-9,18H,2-5,10-15H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyCTNVBPMKDUUUMJ-SFHVURJKSA-N
MW404.49 g/mol
LogP1.70
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide (PubChem CID 51962414) has the molecular formula C21H29FN4O3 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide
PubChem CID51962414
Molecular FormulaC21H29FN4O3
Molecular Weight404.49 g/mol
Exact Mass404.22
IUPAC NameN-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide
SMILESCCC(=O)N1CCCC[C@H]1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H29FN4O3/c1-2-20(28)26-10-4-3-5-18(26)21(29)25-13-11-24(12-14-25)15-19(27)23-17-8-6-16(22)7-9-17/h6-9,18H,2-5,10-15H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyCTNVBPMKDUUUMJ-SFHVURJKSA-N
XLogP1.70
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]piperazin-1-yl]acetamide
CID 9021895
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
CID 9022117
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8719210
N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119833345
4-(2-ethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 109150013
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 119833340
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide
CID 8719224
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide (CID 51962414) is N-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide is CCC(=O)N1CCCC[C@H]1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is CTNVBPMKDUUUMJ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29FN4O3/c1-2-20(28)26-10-4-3-5-18(26)21(29)25-13-11-24(12-14-25)15-19(27)23-17-8-6-16(22)7-9-17/h6-9,18H,2-5,10-15H2,1H3,(H,23,27)/t18-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 404.49 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[(2S)-1-propanoylpiperidine-2-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 51962414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).