[5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone

C24H33N5O2 — CID 73304065

IUPAC[5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(CN2CCCCC2)o1)N1CCC(C2NNCC2c2ccncc2)CC1
InChIInChI=1S/C24H33N5O2/c30-24(22-5-4-20(31-22)17-28-12-2-1-3-13-28)29-14-8-19(9-15-29)23-21(16-26-27-23)18-6-10-25-11-7-18/h4-7,10-11,19,21,23,26-27H,1-3,8-9,12-17H2
InChIKeyYRWKEORIKGODOM-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.77
Rot. Bonds5

About [5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone

[5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone (PubChem CID 73304065) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is [5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone
PubChem CID73304065
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name[5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(CN2CCCCC2)o1)N1CCC(C2NNCC2c2ccncc2)CC1
InChIInChI=1S/C24H33N5O2/c30-24(22-5-4-20(31-22)17-28-12-2-1-3-13-28)29-14-8-19(9-15-29)23-21(16-26-27-23)18-6-10-25-11-7-18/h4-7,10-11,19,21,23,26-27H,1-3,8-9,12-17H2
InChIKeyYRWKEORIKGODOM-UHFFFAOYSA-N
XLogP2.77
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone (CID 73304065) is [5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone is O=C(c1ccc(CN2CCCCC2)o1)N1CCC(C2NNCC2c2ccncc2)CC1.
What is the InChIKey of [5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone?
The InChIKey is YRWKEORIKGODOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c30-24(22-5-4-20(31-22)17-28-12-2-1-3-13-28)29-14-8-19(9-15-29)23-21(16-26-27-23)18-6-10-25-11-7-18/h4-7,10-11,19,21,23,26-27H,1-3,8-9,12-17H2.
What are the key properties of [5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone?
[5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone has a molecular weight of 423.56 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(piperidin-1-ylmethyl)furan-2-yl]-[4-(4-pyridin-4-ylpyrazolidin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 73304065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).