[2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone

C18H27N3O4 — CID 74809410

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone
SMILESCOc1ccccc1OCC1CC(C(=O)N2CCCCC2CO)NN1
InChIInChI=1S/C18H27N3O4/c1-24-16-7-2-3-8-17(16)25-12-13-10-15(20-19-13)18(23)21-9-5-4-6-14(21)11-22/h2-3,7-8,13-15,19-20,22H,4-6,9-12H2,1H3
InChIKeyNTZHCPSNDBAMNZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP0.68
Rot. Bonds6

About [2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone

[2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone (PubChem CID 74809410) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone
PubChem CID74809410
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone
SMILESCOc1ccccc1OCC1CC(C(=O)N2CCCCC2CO)NN1
InChIInChI=1S/C18H27N3O4/c1-24-16-7-2-3-8-17(16)25-12-13-10-15(20-19-13)18(23)21-9-5-4-6-14(21)11-22/h2-3,7-8,13-15,19-20,22H,4-6,9-12H2,1H3
InChIKeyNTZHCPSNDBAMNZ-UHFFFAOYSA-N
XLogP0.68
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone (CID 74809410) is [2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone is COc1ccccc1OCC1CC(C(=O)N2CCCCC2CO)NN1.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone?
The InChIKey is NTZHCPSNDBAMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-24-16-7-2-3-8-17(16)25-12-13-10-15(20-19-13)18(23)21-9-5-4-6-14(21)11-22/h2-3,7-8,13-15,19-20,22H,4-6,9-12H2,1H3.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone?
[2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone has a molecular weight of 349.43 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-[5-[(2-methoxyphenoxy)methyl]pyrazolidin-3-yl]methanone is sourced from PubChem (CID 74809410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).