1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one

C17H28N4O — CID 119890131

IUPAC1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
SMILESCC(CC(=O)N1CCC(c2cnn(C)c2)C1)C1CCNCC1
InChIInChI=1S/C17H28N4O/c1-13(14-3-6-18-7-4-14)9-17(22)21-8-5-15(12-21)16-10-19-20(2)11-16/h10-11,13-15,18H,3-9,12H2,1-2H3
InChIKeyGOGXDSDQXXMMES-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.76
Rot. Bonds4

About 1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one

1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one (PubChem CID 119890131) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
PubChem CID119890131
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
SMILESCC(CC(=O)N1CCC(c2cnn(C)c2)C1)C1CCNCC1
InChIInChI=1S/C17H28N4O/c1-13(14-3-6-18-7-4-14)9-17(22)21-8-5-15(12-21)16-10-19-20(2)11-16/h10-11,13-15,18H,3-9,12H2,1-2H3
InChIKeyGOGXDSDQXXMMES-UHFFFAOYSA-N
XLogP1.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-(2-methylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119698730
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide
CID 119143792
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide
CID 119889326
1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119699761
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119744960
3-piperidin-4-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 119883770
1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119794906
3-piperidin-4-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 119827988
N-methyl-1-(3-piperidin-4-ylbutanoyl)piperidine-3-carboxamide
CID 119783440
1-[3-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119781766

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one?
The IUPAC name of 1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one (CID 119890131) is 1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one.
What is the SMILES notation for 1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one?
The canonical SMILES for 1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one is CC(CC(=O)N1CCC(c2cnn(C)c2)C1)C1CCNCC1.
What is the InChIKey of 1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one?
The InChIKey is GOGXDSDQXXMMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13(14-3-6-18-7-4-14)9-17(22)21-8-5-15(12-21)16-10-19-20(2)11-16/h10-11,13-15,18H,3-9,12H2,1-2H3.
What are the key properties of 1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one?
1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one has a molecular weight of 304.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one is sourced from PubChem (CID 119890131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).