N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide

C15H19F3N4O2 — CID 75431410

IUPACN-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
SMILESNC(=O)NC(=O)CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)11-1-3-12(4-2-11)22-9-7-21(8-10-22)6-5-13(23)20-14(19)24/h1-4H,5-10H2,(H3,19,20,23,24)
InChIKeyPPOMEUPBQYWRSI-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.41
Rot. Bonds4

About N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide

N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide (PubChem CID 75431410) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
PubChem CID75431410
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC NameN-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
SMILESNC(=O)NC(=O)CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)11-1-3-12(4-2-11)22-9-7-21(8-10-22)6-5-13(23)20-14(19)24/h1-4H,5-10H2,(H3,19,20,23,24)
InChIKeyPPOMEUPBQYWRSI-UHFFFAOYSA-N
XLogP1.41
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloroethyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 63392477
N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 165433778
[4-[3-oxo-4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]urea
CID 90408631
1-[4-(4-aminoanilino)piperidin-1-yl]-4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 70644874
N-[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 89025286
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methylphosphonic acid
CID 162536662
2-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]acetic acid
CID 62823600
4-hydroxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 167913460
1-(4-ethylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442902
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid
CID 43522354

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide (CID 75431410) is N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide is NC(=O)NC(=O)CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide?
The InChIKey is PPOMEUPBQYWRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)11-1-3-12(4-2-11)22-9-7-21(8-10-22)6-5-13(23)20-14(19)24/h1-4H,5-10H2,(H3,19,20,23,24).
What are the key properties of N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide?
N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide has a molecular weight of 344.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 75431410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).