[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone

C17H29N5O2 — CID 120941305

IUPAC[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESCC(O)CN1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1C
InChIInChI=1S/C17H29N5O2/c1-14-12-21(11-10-20(14)13-15(2)23)16(24)17(4-7-18-8-5-17)22-9-3-6-19-22/h3,6,9,14-15,18,23H,4-5,7-8,10-13H2,1-2H3
InChIKeyMIQULWUIXHNOPJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP-0.12
Rot. Bonds4

About [4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone

[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone (PubChem CID 120941305) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
PubChem CID120941305
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESCC(O)CN1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1C
InChIInChI=1S/C17H29N5O2/c1-14-12-21(11-10-20(14)13-15(2)23)16(24)17(4-7-18-8-5-17)22-9-3-6-19-22/h3,6,9,14-15,18,23H,4-5,7-8,10-13H2,1-2H3
InChIKeyMIQULWUIXHNOPJ-UHFFFAOYSA-N
XLogP-0.12
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone (CID 120941305) is [4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone is CC(O)CN1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1C.
What is the InChIKey of [4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The InChIKey is MIQULWUIXHNOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-14-12-21(11-10-20(14)13-15(2)23)16(24)17(4-7-18-8-5-17)22-9-3-6-19-22/h3,6,9,14-15,18,23H,4-5,7-8,10-13H2,1-2H3.
What are the key properties of [4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 120941305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).