N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide

C21H27ClN4O — CID 72937068

IUPACN-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide
SMILESCc1cnc(C)c(N2CCCC(CCC(=O)NCc3ccccc3Cl)C2)n1
InChIInChI=1S/C21H27ClN4O/c1-15-12-23-16(2)21(25-15)26-11-5-6-17(14-26)9-10-20(27)24-13-18-7-3-4-8-19(18)22/h3-4,7-8,12,17H,5-6,9-11,13-14H2,1-2H3,(H,24,27)
InChIKeyRSWRFCJBVVKRPP-UHFFFAOYSA-N
MW386.93 g/mol
LogP4.06
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide (PubChem CID 72937068) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide
PubChem CID72937068
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide
SMILESCc1cnc(C)c(N2CCCC(CCC(=O)NCc3ccccc3Cl)C2)n1
InChIInChI=1S/C21H27ClN4O/c1-15-12-23-16(2)21(25-15)26-11-5-6-17(14-26)9-10-20(27)24-13-18-7-3-4-8-19(18)22/h3-4,7-8,12,17H,5-6,9-11,13-14H2,1-2H3,(H,24,27)
InChIKeyRSWRFCJBVVKRPP-UHFFFAOYSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide (CID 72937068) is N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide is Cc1cnc(C)c(N2CCCC(CCC(=O)NCc3ccccc3Cl)C2)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide?
The InChIKey is RSWRFCJBVVKRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-15-12-23-16(2)21(25-15)26-11-5-6-17(14-26)9-10-20(27)24-13-18-7-3-4-8-19(18)22/h3-4,7-8,12,17H,5-6,9-11,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide has a molecular weight of 386.93 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 72937068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).