N-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide

C25H35N5O — CID 45228306

IUPACN-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide
SMILESCc1cnc(C)c(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)C3)CC2)n1
InChIInChI=1S/C25H35N5O/c1-19-16-26-20(2)25(27-19)30-14-10-21(11-15-30)8-9-24(31)28-23-12-13-29(18-23)17-22-6-4-3-5-7-22/h3-7,16,21,23H,8-15,17-18H2,1-2H3,(H,28,31)
InChIKeyKKZLWAMBDBNGFC-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.48
Rot. Bonds7

About N-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide

N-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide (PubChem CID 45228306) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide
PubChem CID45228306
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide
SMILESCc1cnc(C)c(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)C3)CC2)n1
InChIInChI=1S/C25H35N5O/c1-19-16-26-20(2)25(27-19)30-14-10-21(11-15-30)8-9-24(31)28-23-12-13-29(18-23)17-22-6-4-3-5-7-22/h3-7,16,21,23H,8-15,17-18H2,1-2H3,(H,28,31)
InChIKeyKKZLWAMBDBNGFC-UHFFFAOYSA-N
XLogP3.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide (CID 45228306) is N-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide is Cc1cnc(C)c(N2CCC(CCC(=O)NC3CCN(Cc4ccccc4)C3)CC2)n1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide?
The InChIKey is KKZLWAMBDBNGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O/c1-19-16-26-20(2)25(27-19)30-14-10-21(11-15-30)8-9-24(31)28-23-12-13-29(18-23)17-22-6-4-3-5-7-22/h3-7,16,21,23H,8-15,17-18H2,1-2H3,(H,28,31).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide?
N-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide has a molecular weight of 421.59 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45228306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).