N-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide

C15H25N5O2 — CID 87053026

IUPACN-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide
SMILESCCCOc1nccnc1NC1CCN(C(=O)NCC)CC1
InChIInChI=1S/C15H25N5O2/c1-3-11-22-14-13(17-7-8-18-14)19-12-5-9-20(10-6-12)15(21)16-4-2/h7-8,12H,3-6,9-11H2,1-2H3,(H,16,21)(H,17,19)
InChIKeyFCWSYVYJNSBBDS-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.87
Rot. Bonds6

About N-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide

N-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide (PubChem CID 87053026) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide
PubChem CID87053026
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide
SMILESCCCOc1nccnc1NC1CCN(C(=O)NCC)CC1
InChIInChI=1S/C15H25N5O2/c1-3-11-22-14-13(17-7-8-18-14)19-12-5-9-20(10-6-12)15(21)16-4-2/h7-8,12H,3-6,9-11H2,1-2H3,(H,16,21)(H,17,19)
InChIKeyFCWSYVYJNSBBDS-UHFFFAOYSA-N
XLogP1.87
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide (CID 87053026) is N-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide is CCCOc1nccnc1NC1CCN(C(=O)NCC)CC1.
What is the InChIKey of N-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
The InChIKey is FCWSYVYJNSBBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-3-11-22-14-13(17-7-8-18-14)19-12-5-9-20(10-6-12)15(21)16-4-2/h7-8,12H,3-6,9-11H2,1-2H3,(H,16,21)(H,17,19).
What are the key properties of N-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
N-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(3-propoxypyrazin-2-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 87053026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).