3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide

C18H17Cl2N5O — CID 121109940

IUPAC3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide
SMILESN#Cc1nccnc1N1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H17Cl2N5O/c19-14-7-13(8-15(20)9-14)18(26)24-11-12-1-5-25(6-2-12)17-16(10-21)22-3-4-23-17/h3-4,7-9,12H,1-2,5-6,11H2,(H,24,26)
InChIKeyOJMAZWHLQPEJJT-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.30
Rot. Bonds4

About 3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide

3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide (PubChem CID 121109940) has the molecular formula C18H17Cl2N5O and a molecular weight of 390.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide
PubChem CID121109940
Molecular FormulaC18H17Cl2N5O
Molecular Weight390.27 g/mol
Exact Mass389.08
IUPAC Name3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide
SMILESN#Cc1nccnc1N1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H17Cl2N5O/c19-14-7-13(8-15(20)9-14)18(26)24-11-12-1-5-25(6-2-12)17-16(10-21)22-3-4-23-17/h3-4,7-9,12H,1-2,5-6,11H2,(H,24,26)
InChIKeyOJMAZWHLQPEJJT-UHFFFAOYSA-N
XLogP3.30
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121109874
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]cyclohexanecarboxamide
CID 121109858
(E)-3-(2-chlorophenyl)-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]prop-2-enamide
CID 121109934
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 121110119
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]-2-phenylbutanamide
CID 121109894
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 121110131
3-[4-(cyclopropylmethylamino)piperidin-1-yl]pyrazine-2-carbonitrile
CID 115307614
3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
CID 121108956
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121108885
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3-(4-methylsulfonylphenyl)propanamide
CID 121109995

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide (CID 121109940) is 3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide is N#Cc1nccnc1N1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide?
The InChIKey is OJMAZWHLQPEJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O/c19-14-7-13(8-15(20)9-14)18(26)24-11-12-1-5-25(6-2-12)17-16(10-21)22-3-4-23-17/h3-4,7-9,12H,1-2,5-6,11H2,(H,24,26).
What are the key properties of 3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide?
3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide has a molecular weight of 390.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 121109940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).