4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide

C16H26N6O — CID 53499344

IUPAC4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCNc1ncccn1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H26N6O/c23-16(20-9-8-19-15-17-6-3-7-18-15)22-12-10-21(11-13-22)14-4-1-2-5-14/h3,6-7,14H,1-2,4-5,8-13H2,(H,20,23)(H,17,18,19)
InChIKeyRASONGOGAACFOA-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.16
Rot. Bonds5

About 4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide

4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide (PubChem CID 53499344) has the molecular formula C16H26N6O and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide
PubChem CID53499344
Molecular FormulaC16H26N6O
Molecular Weight318.42 g/mol
Exact Mass318.22
IUPAC Name4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCNc1ncccn1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H26N6O/c23-16(20-9-8-19-15-17-6-3-7-18-15)22-12-10-21(11-13-22)14-4-1-2-5-14/h3,6-7,14H,1-2,4-5,8-13H2,(H,20,23)(H,17,18,19)
InChIKeyRASONGOGAACFOA-UHFFFAOYSA-N
XLogP1.16
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide (CID 53499344) is 4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide is O=C(NCCNc1ncccn1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is RASONGOGAACFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c23-16(20-9-8-19-15-17-6-3-7-18-15)22-12-10-21(11-13-22)14-4-1-2-5-14/h3,6-7,14H,1-2,4-5,8-13H2,(H,20,23)(H,17,18,19).
What are the key properties of 4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide?
4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 53499344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).