N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide

C15H23F2N5O2 — CID 75475931

IUPACN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)CC1CCN(C(=O)Nc2ccn(CC(F)F)n2)CC1
InChIInChI=1S/C15H23F2N5O2/c1-20(2)14(23)9-11-3-6-21(7-4-11)15(24)18-13-5-8-22(19-13)10-12(16)17/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,18,19,24)
InChIKeyKDXIHIZLJBZOGQ-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.87
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide

N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 75475931) has the molecular formula C15H23F2N5O2 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide
PubChem CID75475931
Molecular FormulaC15H23F2N5O2
Molecular Weight343.38 g/mol
Exact Mass343.18
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)CC1CCN(C(=O)Nc2ccn(CC(F)F)n2)CC1
InChIInChI=1S/C15H23F2N5O2/c1-20(2)14(23)9-11-3-6-21(7-4-11)15(24)18-13-5-8-22(19-13)10-12(16)17/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,18,19,24)
InChIKeyKDXIHIZLJBZOGQ-UHFFFAOYSA-N
XLogP1.87
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ici 162846
CID 134778
N-(1-methyl-1H-pyrazol-3-yl)-1-(methylsulfonyl)-3-piperidinecarboxamide
CID 19583362
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CID 45930241
N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 71925440
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CID 97080822
N,N-dimethyl-3-[[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]carbamoylamino]propanamide
CID 97307869
5-(3-[3-(2,2,2-Trifluoroethyl)thioureido]pyrazol-1-yl)valeramide
CID 13883779
5-[3-[[N'-(2,2,3,3-tetrafluoropropyl)carbamimidoyl]amino]pyrazol-1-yl]pentanamide
CID 13883812
5-[3-[[N'-(2-chloro-2,2-difluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]pentanamide
CID 13883813
5-[3-[Sulfanyl(2,2,2-trifluoroethylcarbamoyl)amino]pyrazol-1-yl]pentanamide
CID 88748329
2,2,2-trifluoro-N-[1-(piperidine-1-carbonyl)pyrazol-3-yl]acetamide
CID 145315676
1,1,1,3,3,3-Hexafluoropropan-2-yl 2-[(1-methylpyrazol-3-yl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 163299087

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide (CID 75475931) is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide is CN(C)C(=O)CC1CCN(C(=O)Nc2ccn(CC(F)F)n2)CC1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is KDXIHIZLJBZOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5O2/c1-20(2)14(23)9-11-3-6-21(7-4-11)15(24)18-13-5-8-22(19-13)10-12(16)17/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,18,19,24).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[2-(dimethylamino)-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 75475931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).