3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile

C14H19N5 — CID 115307614

IUPAC3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(NCC2CC2)CC1
InChIInChI=1S/C14H19N5/c15-9-13-14(17-6-5-16-13)19-7-3-12(4-8-19)18-10-11-1-2-11/h5-6,11-12,18H,1-4,7-8,10H2
InChIKeyYWYVQBYRCKKYOZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.32
Rot. Bonds4

About 3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile

3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 115307614) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID115307614
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(NCC2CC2)CC1
InChIInChI=1S/C14H19N5/c15-9-13-14(17-6-5-16-13)19-7-3-12(4-8-19)18-10-11-1-2-11/h5-6,11-12,18H,1-4,7-8,10H2
InChIKeyYWYVQBYRCKKYOZ-UHFFFAOYSA-N
XLogP1.32
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 115307500
1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283451
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 121109858
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
N-[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348934
3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284433
4-bromo-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121110071
3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109940
3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133284179
1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 62684699
3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133396027
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121109874

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile (CID 115307614) is 3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC(NCC2CC2)CC1.
What is the InChIKey of 3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is YWYVQBYRCKKYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-9-13-14(17-6-5-16-13)19-7-3-12(4-8-19)18-10-11-1-2-11/h5-6,11-12,18H,1-4,7-8,10H2.
What are the key properties of 3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile?
3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 115307614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).