2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one

C18H29N3O2 — CID 56789506

IUPAC2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
SMILESCCC(OC1CCCC1)C(=O)N1CCC(n2cc(C)cn2)CC1
InChIInChI=1S/C18H29N3O2/c1-3-17(23-16-6-4-5-7-16)18(22)20-10-8-15(9-11-20)21-13-14(2)12-19-21/h12-13,15-17H,3-11H2,1-2H3
InChIKeyVRRVYTAQHOONBR-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.09
Rot. Bonds5

About 2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one

2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one (PubChem CID 56789506) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
PubChem CID56789506
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
SMILESCCC(OC1CCCC1)C(=O)N1CCC(n2cc(C)cn2)CC1
InChIInChI=1S/C18H29N3O2/c1-3-17(23-16-6-4-5-7-16)18(22)20-10-8-15(9-11-20)21-13-14(2)12-19-21/h12-13,15-17H,3-11H2,1-2H3
InChIKeyVRRVYTAQHOONBR-UHFFFAOYSA-N
XLogP3.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclopentyloxy-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53577875
1-[2-[2-[(4-Methylpyrazol-1-yl)methyl]morpholin-4-yl]ethyl]pyrrolidin-2-one
CID 53600120
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72857943
1-cyclopentyl-N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72914681
2-(Cyclopropylmethoxy)-1-(3-pyrazol-1-ylpiperidin-1-yl)propan-1-one
CID 53562290
N-[3-methyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 75421218
(2S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 93830666
N-[(1-methylpyrazol-4-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylacetamide
CID 96539077
5-Methyl-9-[(1-methylpyrazol-4-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131641888
1-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 56779080
1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 95603241
1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 95603242

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one (CID 56789506) is 2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one is CCC(OC1CCCC1)C(=O)N1CCC(n2cc(C)cn2)CC1.
What is the InChIKey of 2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one?
The InChIKey is VRRVYTAQHOONBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-17(23-16-6-4-5-7-16)18(22)20-10-8-15(9-11-20)21-13-14(2)12-19-21/h12-13,15-17H,3-11H2,1-2H3.
What are the key properties of 2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one?
2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one has a molecular weight of 319.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 56789506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).