N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide

C22H31FN4O3 — CID 46444767

IUPACN-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H31FN4O3/c1-16(21(29)25-22(30)24-19-5-3-2-4-6-19)26-11-13-27(14-12-26)20(28)15-17-7-9-18(23)10-8-17/h7-10,16,19H,2-6,11-15H2,1H3,(H2,24,25,29,30)
InChIKeyRHWCRHTXEYNPQP-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.06
Rot. Bonds5

About N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide

N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide (PubChem CID 46444767) has the molecular formula C22H31FN4O3 and a molecular weight of 418.51 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
PubChem CID46444767
Molecular FormulaC22H31FN4O3
Molecular Weight418.51 g/mol
Exact Mass418.24
IUPAC NameN-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H31FN4O3/c1-16(21(29)25-22(30)24-19-5-3-2-4-6-19)26-11-13-27(14-12-26)20(28)15-17-7-9-18(23)10-8-17/h7-10,16,19H,2-6,11-15H2,1H3,(H2,24,25,29,30)
InChIKeyRHWCRHTXEYNPQP-UHFFFAOYSA-N
XLogP2.06
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019512
N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 78831379
(2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide
CID 98445857
(2R)-N-(cyclohexylcarbamoyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9436374
2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839030
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
CID 46444743
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251726
(2S)-N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9257137
N-(5-chloro-2-pyridinyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 46444680
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
2-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclohexylcarbamoyl)propanamide
CID 55511454

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide (CID 46444767) is N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide is CC(C(=O)NC(=O)NC1CCCCC1)N1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The InChIKey is RHWCRHTXEYNPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O3/c1-16(21(29)25-22(30)24-19-5-3-2-4-6-19)26-11-13-27(14-12-26)20(28)15-17-7-9-18(23)10-8-17/h7-10,16,19H,2-6,11-15H2,1H3,(H2,24,25,29,30).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide has a molecular weight of 418.51 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 46444767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).