1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide

C19H24F2N4O3 — CID 78857490

IUPAC1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C19H24F2N4O3/c20-15-2-1-14(11-16(15)21)19(28)25-9-7-23(8-10-25)12-17(26)24-5-3-13(4-6-24)18(22)27/h1-2,11,13H,3-10,12H2,(H2,22,27)
InChIKeyPMTDXUQFIQCXQX-UHFFFAOYSA-N
MW394.42 g/mol
LogP0.45
Rot. Bonds4

About 1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide

1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide (PubChem CID 78857490) has the molecular formula C19H24F2N4O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is 1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide
PubChem CID78857490
Molecular FormulaC19H24F2N4O3
Molecular Weight394.42 g/mol
Exact Mass394.18
IUPAC Name1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C19H24F2N4O3/c20-15-2-1-14(11-16(15)21)19(28)25-9-7-23(8-10-25)12-17(26)24-5-3-13(4-6-24)18(22)27/h1-2,11,13H,3-10,12H2,(H2,22,27)
InChIKeyPMTDXUQFIQCXQX-UHFFFAOYSA-N
XLogP0.45
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethanethioamide
CID 63336063
2-[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 56825777
1-(4-acetylpiperazin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60505688
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
2-[4-(3,4-difluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823379
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetonitrile
CID 28705338
2-[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442549
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
CID 32693348
N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113002549
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981002

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide (CID 78857490) is 1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is PMTDXUQFIQCXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O3/c20-15-2-1-14(11-16(15)21)19(28)25-9-7-23(8-10-25)12-17(26)24-5-3-13(4-6-24)18(22)27/h1-2,11,13H,3-10,12H2,(H2,22,27).
What are the key properties of 1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide?
1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 78857490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).