1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide

C21H31N5O2 — CID 56861391

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1cnccn1)C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C21H31N5O2/c1-24(15-18-13-22-8-9-23-18)20(27)17-3-2-10-26(14-17)19-6-11-25(12-7-19)21(28)16-4-5-16/h8-9,13,16-17,19H,2-7,10-12,14-15H2,1H3
InChIKeyIPRQMRHZQIOVOK-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.55
Rot. Bonds5

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 56861391) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID56861391
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1cnccn1)C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C21H31N5O2/c1-24(15-18-13-22-8-9-23-18)20(27)17-3-2-10-26(14-17)19-6-11-25(12-7-19)21(28)16-4-5-16/h8-9,13,16-17,19H,2-7,10-12,14-15H2,1H3
InChIKeyIPRQMRHZQIOVOK-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide (CID 56861391) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide is CN(Cc1cnccn1)C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is IPRQMRHZQIOVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-24(15-18-13-22-8-9-23-18)20(27)17-3-2-10-26(14-17)19-6-11-25(12-7-19)21(28)16-4-5-16/h8-9,13,16-17,19H,2-7,10-12,14-15H2,1H3.
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56861391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).