(4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone

C17H25F2N3O — CID 110106620

IUPAC(4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cn[nH]c1CC1CCCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C17H25F2N3O/c1-12-10-20-21-15(12)9-13-3-2-8-22(11-13)16(23)14-4-6-17(18,19)7-5-14/h10,13-14H,2-9,11H2,1H3,(H,20,21)
InChIKeyMKVDIZNGJOQJES-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.32
Rot. Bonds3

About (4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone

(4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 110106620) has the molecular formula C17H25F2N3O and a molecular weight of 325.40 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID110106620
Molecular FormulaC17H25F2N3O
Molecular Weight325.40 g/mol
Exact Mass325.20
IUPAC Name(4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cn[nH]c1CC1CCCN(C(=O)C2CCC(F)(F)CC2)C1
InChIInChI=1S/C17H25F2N3O/c1-12-10-20-21-15(12)9-13-3-2-8-22(11-13)16(23)14-4-6-17(18,19)7-5-14/h10,13-14H,2-9,11H2,1H3,(H,20,21)
InChIKeyMKVDIZNGJOQJES-UHFFFAOYSA-N
XLogP3.32
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920573
(4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71971097
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110256062
cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110269329
2-cyclopentyl-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 110270853
1-[2-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]prop-2-en-1-one
CID 168289668
1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(2,3,6-trifluorophenyl)ethanone
CID 26358743
1-[3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 45182420
1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4,4-difluoropiperidine
CID 74239325
2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 126451751
(5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone (CID 110106620) is (4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone is Cc1cn[nH]c1CC1CCCN(C(=O)C2CCC(F)(F)CC2)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is MKVDIZNGJOQJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O/c1-12-10-20-21-15(12)9-13-3-2-8-22(11-13)16(23)14-4-6-17(18,19)7-5-14/h10,13-14H,2-9,11H2,1H3,(H,20,21).
What are the key properties of (4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 325.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110106620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).