cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone

C18H31N5O — CID 84587817

IUPACcyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone
SMILESCC(NCCN1CCN(C(=O)C2CCCC2)CC1)c1cnn(C)c1
InChIInChI=1S/C18H31N5O/c1-15(17-13-20-21(2)14-17)19-7-8-22-9-11-23(12-10-22)18(24)16-5-3-4-6-16/h13-16,19H,3-12H2,1-2H3
InChIKeyNUVVOWRIANXQKI-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.41
Rot. Bonds6

About cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone

cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone (PubChem CID 84587817) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone
PubChem CID84587817
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Namecyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone
SMILESCC(NCCN1CCN(C(=O)C2CCCC2)CC1)c1cnn(C)c1
InChIInChI=1S/C18H31N5O/c1-15(17-13-20-21(2)14-17)19-7-8-22-9-11-23(12-10-22)18(24)16-5-3-4-6-16/h13-16,19H,3-12H2,1-2H3
InChIKeyNUVVOWRIANXQKI-UHFFFAOYSA-N
XLogP1.41
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone (CID 84587817) is cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone is CC(NCCN1CCN(C(=O)C2CCCC2)CC1)c1cnn(C)c1.
What is the InChIKey of cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone?
The InChIKey is NUVVOWRIANXQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-15(17-13-20-21(2)14-17)19-7-8-22-9-11-23(12-10-22)18(24)16-5-3-4-6-16/h13-16,19H,3-12H2,1-2H3.
What are the key properties of cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone has a molecular weight of 333.48 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 84587817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).