3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile

C14H21N5 — CID 63241718

IUPAC3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCC(C)NCC1CCCN(c2nccnc2C#N)C1
InChIInChI=1S/C14H21N5/c1-11(2)18-9-12-4-3-7-19(10-12)14-13(8-15)16-5-6-17-14/h5-6,11-12,18H,3-4,7,9-10H2,1-2H3
InChIKeyMMGFOSSEYVPEIE-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.56
Rot. Bonds4

About 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile

3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 63241718) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID63241718
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCC(C)NCC1CCCN(c2nccnc2C#N)C1
InChIInChI=1S/C14H21N5/c1-11(2)18-9-12-4-3-7-19(10-12)14-13(8-15)16-5-6-17-14/h5-6,11-12,18H,3-4,7,9-10H2,1-2H3
InChIKeyMMGFOSSEYVPEIE-UHFFFAOYSA-N
XLogP1.56
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 55104922
1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one
CID 62929242
N-[(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 62588134
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496
2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide
CID 166319688
N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine
CID 66340622
N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
CID 112676134
3-bromo-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]benzonitrile
CID 82810544
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 97086014
3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile
CID 97082744
3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284433

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile (CID 63241718) is 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile is CC(C)NCC1CCCN(c2nccnc2C#N)C1.
What is the InChIKey of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is MMGFOSSEYVPEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(2)18-9-12-4-3-7-19(10-12)14-13(8-15)16-5-6-17-14/h5-6,11-12,18H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 63241718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).