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

C17H27N5O2 — CID 53185573

IUPACN-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide
SMILESCOc1nccnc1NC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H27N5O2/c1-24-16-15(18-9-10-19-16)20-14-7-11-22(12-8-14)17(23)21-13-5-3-2-4-6-13/h9-10,13-14H,2-8,11-12H2,1H3,(H,18,20)(H,21,23)
InChIKeyLAYUQWRHKXFBTF-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.40
Rot. Bonds4

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

N-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide (PubChem CID 53185573) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide
PubChem CID53185573
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide
SMILESCOc1nccnc1NC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H27N5O2/c1-24-16-15(18-9-10-19-16)20-14-7-11-22(12-8-14)17(23)21-13-5-3-2-4-6-13/h9-10,13-14H,2-8,11-12H2,1H3,(H,18,20)(H,21,23)
InChIKeyLAYUQWRHKXFBTF-UHFFFAOYSA-N
XLogP2.40
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide (CID 53185573) is N-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide is COc1nccnc1NC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
The InChIKey is LAYUQWRHKXFBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-24-16-15(18-9-10-19-16)20-14-7-11-22(12-8-14)17(23)21-13-5-3-2-4-6-13/h9-10,13-14H,2-8,11-12H2,1H3,(H,18,20)(H,21,23).
What are the key properties of N-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide?
N-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 53185573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).