N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide

C21H25N5O — CID 121109894

IUPACN-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1CCN(c2nccnc2C#N)CC1)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-2-18(17-6-4-3-5-7-17)21(27)25-15-16-8-12-26(13-9-16)20-19(14-22)23-10-11-24-20/h3-7,10-11,16,18H,2,8-9,12-13,15H2,1H3,(H,25,27)
InChIKeyMDFZXLFUECHLOU-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.87
Rot. Bonds6

About N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide

N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide (PubChem CID 121109894) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide
PubChem CID121109894
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC NameN-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1CCN(c2nccnc2C#N)CC1)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-2-18(17-6-4-3-5-7-17)21(27)25-15-16-8-12-26(13-9-16)20-19(14-22)23-10-11-24-20/h3-7,10-11,16,18H,2,8-9,12-13,15H2,1H3,(H,25,27)
InChIKeyMDFZXLFUECHLOU-UHFFFAOYSA-N
XLogP2.87
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
CID 121108971
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 121109858
3-bromo-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109949
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121109874
(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 95378636
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 121110119
(E)-3-(2-chlorophenyl)-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]prop-2-enamide
CID 121109934
3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109940
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-methyl-3-nitrobenzamide
CID 121109921
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3-(4-methylsulfonylphenyl)propanamide
CID 121109995
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 121021211

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide?
The IUPAC name of N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide (CID 121109894) is N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide?
The canonical SMILES for N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide is CCC(C(=O)NCC1CCN(c2nccnc2C#N)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide?
The InChIKey is MDFZXLFUECHLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-18(17-6-4-3-5-7-17)21(27)25-15-16-8-12-26(13-9-16)20-19(14-22)23-10-11-24-20/h3-7,10-11,16,18H,2,8-9,12-13,15H2,1H3,(H,25,27).
What are the key properties of N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide?
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide has a molecular weight of 363.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 121109894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).