1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide

C20H21F2N3O2 — CID 24639274

IUPAC1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccncc1
InChIInChI=1S/C20H21F2N3O2/c1-13(14-4-8-23-9-5-14)24-19(26)15-6-10-25(11-7-15)20(27)17-3-2-16(21)12-18(17)22/h2-5,8-9,12-13,15H,6-7,10-11H2,1H3,(H,24,26)
InChIKeyTYRJWOPSBCVPCO-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.09
Rot. Bonds4

About 1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 24639274) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
PubChem CID24639274
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccncc1
InChIInChI=1S/C20H21F2N3O2/c1-13(14-4-8-23-9-5-14)24-19(26)15-6-10-25(11-7-15)20(27)17-3-2-16(21)12-18(17)22/h2-5,8-9,12-13,15H,6-7,10-11H2,1H3,(H,24,26)
InChIKeyTYRJWOPSBCVPCO-UHFFFAOYSA-N
XLogP3.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 55655878
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 55637704
2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 43006008
1-(2,4-difluorobenzoyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]piperidine-4-carboxamide
CID 55747317
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55376976
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 55375713
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
(E)-2-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]hex-4-enoic acid
CID 120693182
N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 119666493

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide (CID 24639274) is 1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccncc1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is TYRJWOPSBCVPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-13(14-4-8-23-9-5-14)24-19(26)15-6-10-25(11-7-15)20(27)17-3-2-16(21)12-18(17)22/h2-5,8-9,12-13,15H,6-7,10-11H2,1H3,(H,24,26).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24639274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).