(4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone

C16H24F2N4O — CID 165432177

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone
SMILESCc1cnn(CCN2CCC(C(=O)N3CCC(F)(F)CC3)C2)c1
InChIInChI=1S/C16H24F2N4O/c1-13-10-19-22(11-13)9-8-20-5-2-14(12-20)15(23)21-6-3-16(17,18)4-7-21/h10-11,14H,2-9,12H2,1H3
InChIKeyAUVHJFNEGONVBH-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.77
Rot. Bonds4

About (4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone (PubChem CID 165432177) has the molecular formula C16H24F2N4O and a molecular weight of 326.39 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone
PubChem CID165432177
Molecular FormulaC16H24F2N4O
Molecular Weight326.39 g/mol
Exact Mass326.19
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone
SMILESCc1cnn(CCN2CCC(C(=O)N3CCC(F)(F)CC3)C2)c1
InChIInChI=1S/C16H24F2N4O/c1-13-10-19-22(11-13)9-8-20-5-2-14(12-20)15(23)21-6-3-16(17,18)4-7-21/h10-11,14H,2-9,12H2,1H3
InChIKeyAUVHJFNEGONVBH-UHFFFAOYSA-N
XLogP1.77
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 53569330
3,3,3-Trifluoro-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 56779110
4-(4-Methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
CID 71830384
1-[[1-(1-Methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258819
2-Methyl-10-(2-methylpropanoyl)-7-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118743817
2-Ethyl-7-(2-methylpropanoyl)-10-[(1-methylpyrazol-4-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 118744248
1-(cyclobutylcarbonyl)-N-isobutyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 72837602
2-(3-methoxypropyl)-8-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72851928
1-(4-Ethylpiperazin-1-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 56802675
1-({1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70765822
N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4-(1-piperidinyl)butanamide
CID 72881466
N-{rel-(3R,4S)-4-cyclopropyl-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidinyl}-4,4,4-trifluorobutanamide hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone (CID 165432177) is (4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone is Cc1cnn(CCN2CCC(C(=O)N3CCC(F)(F)CC3)C2)c1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone?
The InChIKey is AUVHJFNEGONVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O/c1-13-10-19-22(11-13)9-8-20-5-2-14(12-20)15(23)21-6-3-16(17,18)4-7-21/h10-11,14H,2-9,12H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone has a molecular weight of 326.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 165432177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).