N-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide

C19H31N5O2 — CID 56860998

IUPACN-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(c3nccnc3C)CC2)C1
InChIInChI=1S/C19H31N5O2/c1-15-18(21-8-7-20-15)23-11-5-17(6-12-23)24-10-3-4-16(14-24)19(25)22-9-13-26-2/h7-8,16-17H,3-6,9-14H2,1-2H3,(H,22,25)
InChIKeyRXQURMJFIKRMEB-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.23
Rot. Bonds6

About N-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide

N-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56860998) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56860998
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(c3nccnc3C)CC2)C1
InChIInChI=1S/C19H31N5O2/c1-15-18(21-8-7-20-15)23-11-5-17(6-12-23)24-10-3-4-16(14-24)19(25)22-9-13-26-2/h7-8,16-17H,3-6,9-14H2,1-2H3,(H,22,25)
InChIKeyRXQURMJFIKRMEB-UHFFFAOYSA-N
XLogP1.23
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide (CID 56860998) is N-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide is COCCNC(=O)C1CCCN(C2CCN(c3nccnc3C)CC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is RXQURMJFIKRMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15-18(21-8-7-20-15)23-11-5-17(6-12-23)24-10-3-4-16(14-24)19(25)22-9-13-26-2/h7-8,16-17H,3-6,9-14H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
N-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56860998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).