N-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide

C16H25N5O2 — CID 53185576

IUPACN-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide
SMILESCOc1nccnc1NC1CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H25N5O2/c1-23-15-14(17-8-9-18-15)19-13-6-10-21(11-7-13)16(22)20-12-4-2-3-5-12/h8-9,12-13H,2-7,10-11H2,1H3,(H,17,19)(H,20,22)
InChIKeyPNIDZWROXAENRK-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.01
Rot. Bonds4

About N-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide

N-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide (PubChem CID 53185576) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide
PubChem CID53185576
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide
SMILESCOc1nccnc1NC1CCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H25N5O2/c1-23-15-14(17-8-9-18-15)19-13-6-10-21(11-7-13)16(22)20-12-4-2-3-5-12/h8-9,12-13H,2-7,10-11H2,1H3,(H,17,19)(H,20,22)
InChIKeyPNIDZWROXAENRK-UHFFFAOYSA-N
XLogP2.01
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide (CID 53185576) is N-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide is COc1nccnc1NC1CCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
The InChIKey is PNIDZWROXAENRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-23-15-14(17-8-9-18-15)19-13-6-10-21(11-7-13)16(22)20-12-4-2-3-5-12/h8-9,12-13H,2-7,10-11H2,1H3,(H,17,19)(H,20,22).
What are the key properties of N-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
N-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 53185576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).