[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone

C17H26N4O2 — CID 71878415

IUPAC[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESCn1cc(C2CC2C(=O)N2CCN(C3CCCC3O)CC2)cn1
InChIInChI=1S/C17H26N4O2/c1-19-11-12(10-18-19)13-9-14(13)17(23)21-7-5-20(6-8-21)15-3-2-4-16(15)22/h10-11,13-16,22H,2-9H2,1H3
InChIKeyOLRZRQYPOUXKPK-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.58
Rot. Bonds3

About [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone

[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (PubChem CID 71878415) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
PubChem CID71878415
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESCn1cc(C2CC2C(=O)N2CCN(C3CCCC3O)CC2)cn1
InChIInChI=1S/C17H26N4O2/c1-19-11-12(10-18-19)13-9-14(13)17(23)21-7-5-20(6-8-21)15-3-2-4-16(15)22/h10-11,13-16,22H,2-9H2,1H3
InChIKeyOLRZRQYPOUXKPK-UHFFFAOYSA-N
XLogP0.58
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The IUPAC name of [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (CID 71878415) is [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.
What is the SMILES notation for [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The canonical SMILES for [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is Cn1cc(C2CC2C(=O)N2CCN(C3CCCC3O)CC2)cn1.
What is the InChIKey of [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The InChIKey is OLRZRQYPOUXKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-11-12(10-18-19)13-9-14(13)17(23)21-7-5-20(6-8-21)15-3-2-4-16(15)22/h10-11,13-16,22H,2-9H2,1H3.
What are the key properties of [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone has a molecular weight of 318.42 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is sourced from PubChem (CID 71878415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).